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A-1331852

Catalog No.: 012603
Cas No.: 1430844-80-6
Purity : 98% 
012603 - A-1331852 | CAS 1430844-80-6

Catalog number : 012603

CAS number : 1430844-80-6

Molecular Formula : C38H38N6O3S 

Molecular Weight : 658.812 

Iupac Chemical Name : 3-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid 

Smile : CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=CC=CC(=C7C6)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O

InChiKey : QCQQONWEDCOTBV-UHFFFAOYSA-N

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SynonymsSCHEMBL14859048 
Molecular FormulaC38H38N6O3S 
Molecular Weight658.812 
AppearanceSolid powder 
Purity98% 
SolubilitySoluble in DMSO 
Storage-20 ºC for 3 years 
Shipping ConditionShipped under ambient temperature 
SmileCC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=CC=CC(=C7C6)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O
InChiKeyQCQQONWEDCOTBV-UHFFFAOYSA-N
InChiInChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
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