Vitas-M small molecule compound
N-(4-acetylphenyl)-2-{[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK720499
SMILES O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCC3
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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 C28H25N5O3S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O3S2/c1-16-7-13-20(14-8-16)32-25(36)24-21-5-3-4-6-22(21)38-26(24)33-27(32)30-31-28(33)37-15-23(35)29-19-11-9-18(10-12-19)17(2)34/h7-14H,3-6,15H2,1-2H3,(H,29,35)InChIKey
YFIBSMNBRDWEAK-UHFFFAOYSA-NSynonyms
840472-35-7840472357
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)NC5=CC=C(C=C5)C(=O)C)SC6=C3CCCC6
InChI=1SC28H25N5O3S2c11671320(14816)3225(36)2421534622(21)3826(24)3327(32)303128(33)371523(35)291911918(101219)17(2)34h714H3615H212H3(H2935)
MFCD04005437
N(4acetylphenyl)2((4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4acetylphenyl)2((5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000002261241
ZINC2261241
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