Vitas-M small molecule compound
ethyl 3-[({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK131611
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OCC)nnc1c1ccc(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 C23H24N4O3S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O3S/c1-4-13-27-21(17-11-9-16(3)10-12-17)25-26-23(27)31-15-20(28)24-19-8-6-7-18(14-19)22(29)30-5-2/h4,6-12,14H,1,5,13,15H2,2-3H3,(H,24,28)InChIKey
WVZLAQOSNYDZRT-UHFFFAOYSA-NSynonyms
3(2(4ALLYL5PTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDETHYLESTER
CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C
ETHYL3((((5(4METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5(4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H24N4O3Sc14132721(1711916(3)101217)252623(27)311520(28)241986718(1419)22(29)3052h461214H151315H223H3(H2428)
MFCD04389028
ZINC000001117783
ZINC01117783
ZINC1117783
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