Vitas-M small molecule compound
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL365429
SMILES O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc(n1c1ccc(cc1)C)c1cc2c(o1)cccc2
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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 C27H22N4O3S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3S/c1-17-7-13-22(14-8-17)31-26(24-15-20-5-3-4-6-23(20)34-24)29-30-27(31)35-16-25(33)28-21-11-9-19(10-12-21)18(2)32/h3-15H,16H2,1-2H3,(H,28,33)InChIKey
ZZTKVUDPNSYWRS-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)C)C4=CC5=CC=CC=C5O4
InChI=1SC27H22N4O3Sc11771322(14817)3126(241520534623(20)3424)293027(31)351625(33)282111919(101221)18(2)32h315H16H212H3(H2833)
MFCD09476152
N(4acetylphenyl)2((5(1benzofuran2yl)4(4methylphenyl)124triazol3yl)sulfanyl)acetamide
N(4acetylphenyl)2((5(1benzofuran2yl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015018935
ZINC15018935
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