Vitas-M small molecule compound
7-[4-(acetylamino)phenyl]-2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884371
SMILES COc1ccccc1NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)NC(=O)C)nc(n2)SCc1ccccc1
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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 C29H28N6O3S MW 540.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O3S/c1-18-25(27(37)32-23-11-7-8-12-24(23)38-3)26(21-13-15-22(16-14-21)31-19(2)36)35-28(30-18)33-29(34-35)39-17-20-9-5-4-6-10-20/h4-16,26H,17H2,1-3H3,(H,31,36)(H,32,37)(H,30,33,34)InChIKey
KNPYGLHWLKVIAV-UHFFFAOYSA-NSynonyms
7(4(acetylamino)phenyl)2(benzylsulfanyl)N(2methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
7(4acetamidophenyl)2benzylsulfanylN(2methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C)C(=O)NC5=CC=CC=C5OC
InChI=1SC29H28N6O3Sc11825(27(37)322311781224(23)383)26(21131522(161421)3119(2)36)3528(3018)3329(3435)39172095461020h41626H17H213H3(H3136)(H3237)(H303334)
MFCD14731062
ZINC000101293557
ZINC000101293560
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