Vitas-M small molecule compound
methyl 4-[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL302162
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)Nc1ccc(cc1)C(=O)OC
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-4-25-19(14-7-11-17(28-2)12-8-14)23-24-21(25)30-13-18(26)22-16-9-5-15(6-10-16)20(27)29-3/h5-12H,4,13H2,1-3H3,(H,22,26)InChIKey
SANXZIPFZLZVLW-UHFFFAOYSA-NSynonyms
849000-94-8849000948
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC
InChI=1SC21H22N4O4Sc142519(1471117(282)12814)232421(25)301318(26)22169515(61016)20(27)293h512H413H213H3(H2226)
methyl4((((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4ethyl5(4methoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
MFCD05679873
ZINC000009234994
ZINC09234994
ZINC9234994
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