Vitas-M small molecule compound
2-[3-(2-methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Catalog ID
STK879110
SMILES CSc1cccc(c1)NC(=O)Cn1cnc2c(c1=O)nnn2Cc1ccccc1C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H20N6O2S MW 420.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S/c1-14-6-3-4-7-15(14)11-27-20-19(24-25-27)21(29)26(13-22-20)12-18(28)23-16-8-5-9-17(10-16)30-2/h3-10,13H,11-12H2,1-2H3,(H,23,28)InChIKey
VCUVKGYTWHUCGP-UHFFFAOYSA-NSynonyms
2(3((2methylphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(3methylsulfanylphenyl)acetamide
2(3(2methylbenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(3(methylsulfanyl)phenyl)acetamide
CC1=CC=CC=C1CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)SC)N=N2
InChI=1SC21H20N6O2Sc114634715(14)11272019(242527)21(29)26(132220)1218(28)231685917(1016)302h31013H1112H212H3(H2328)
MFCD18170519
ZINC000040477210
ZINC40477210
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