Vitas-M small molecule compound
methyl 2-[({[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK135902
SMILES CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1cccc(c1)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(15-9-7-8-14(2)12-15)23-24-21(25)29-13-18(26)22-17-11-6-5-10-16(17)20(27)28-3/h5-12H,4,13H2,1-3H3,(H,22,26)InChIKey
XVYXYBDZHBRSDJ-UHFFFAOYSA-NSynonyms
2(2(4ETHYL5MTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC(=CC=C3)C
InChI=1SC21H22N4O3Sc142519(1597814(2)1215)232421(25)291318(26)221711651016(17)20(27)283h512H413H213H3(H2226)
METHYL2((((4ETHYL5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2((2((4ethyl5(3methylphenyl)124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2(2(4ETHYL5(3METHYLPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD02740728
ZINC000000976326
ZINC00976326
ZINC976326
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