Vitas-M small molecule compound
methyl 4-[({[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL026125
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1ccccc1OC
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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/c1-4-13-26-20(17-7-5-6-8-18(17)29-2)24-25-22(26)31-14-19(27)23-16-11-9-15(10-12-16)21(28)30-3/h4-12H,1,13-14H2,2-3H3,(H,23,27)InChIKey
MGDSPVIADKMTTF-UHFFFAOYSA-NSynonyms
862129-43-9862129439
COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC22H22N4O4Sc14132620(17756818(17)292)242522(26)311419(27)231611915(101216)21(28)303h412H11314H223H3(H2327)
methyl4((((5(2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(2METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5(2methoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5(2METHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5(2METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05687657
ZINC000002449503
ZINC02449503
ZINC2449503
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