Vitas-M small molecule compound
methyl 4-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK108378
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-4-25-19(15-7-5-14(2)6-8-15)23-24-21(25)29-13-18(26)22-17-11-9-16(10-12-17)20(27)28-3/h5-12H,4,13H2,1-3H3,(H,22,26)InChIKey
ROQHTHRWZVWGRT-UHFFFAOYSA-NSynonyms
591760-79-1591760791
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)C
InChI=1SC21H22N4O3Sc142519(157514(2)6815)232421(25)291318(26)221711916(101217)20(27)283h512H413H213H3(H2226)
METHYL4((((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4ethyl5(ptolyl)4H124triazol3yl)thio)acetamido)benzoate
MFCD03721280
ZINC000001130732
ZINC01130732
ZINC1130732
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