Vitas-M small molecule compound
3,4-dimethoxy-N-{[5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK133264
SMILES C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCC(=O)Nc1c(Cl)cc(cc1Cl)Cl
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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 C23H22Cl3N5O4S MW 570.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22Cl3N5O4S/c1-4-7-31-19(11-27-22(33)13-5-6-17(34-2)18(8-13)35-3)29-30-23(31)36-12-20(32)28-21-15(25)9-14(24)10-16(21)26/h4-6,8-10H,1,7,11-12H2,2-3H3,(H,27,33)(H,28,32)InChIKey
AIVABVBCSBESMC-UHFFFAOYSA-NSynonyms
34DIMETHOXYN((5((2OXO2((246TRICHLOROPHENYL)AMINO)ETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DIMETHOXYN((5(2OXO2(246TRICHLOROANILINO)ETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl)OC
InChI=1SC23H22Cl3N5O4Sc1473119(112722(33)135617(342)18(813)353)293023(31)361220(32)282115(25)914(24)1016(21)26h46810H171112H223H3(H2733)(H2832)
MFCD05992266
ZINC000059776014
ZINC59776014
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