Vitas-M small molecule compound
methyl 2-[({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK733045
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1cccc(c1)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-4-12-26-20(15-8-7-9-16(13-15)29-2)24-25-22(26)31-14-19(27)23-18-11-6-5-10-17(18)21(28)30-3/h4-11,13H,1,12,14H2,2-3H3,(H,23,27)InChIKey
NSFADQFLKPUWMA-UHFFFAOYSA-NSynonyms
311799-23-2311799232
COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C(=O)OC
InChI=1SC22H22N4O4Sc14122620(1587916(1315)292)242522(26)311419(27)231811651017(18)21(28)303h41113H11214H223H3(H2327)
methyl2((((5(3methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((5(3methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoate
methyl2(2((4allyl5(3methoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
MFCD01209789
ZINC000001059561
ZINC01059561
ZINC1059561
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