Vitas-M small molecule compound
3,4-dimethoxy-N-{[5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK139227
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1CNC(=O)c1ccc(c(c1)OC)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 C27H32N6O4S MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O4S/c1-4-12-33-24(18-28-26(35)20-10-11-22(36-2)23(17-20)37-3)29-30-27(33)38-19-25(34)32-15-13-31(14-16-32)21-8-6-5-7-9-21/h4-11,17H,1,12-16,18-19H2,2-3H3,(H,28,35)InChIKey
UKOQEPGCRBXDDK-UHFFFAOYSA-NSynonyms
34DIMETHOXYN((5((2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DIMETHOXYN((5(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC
InChI=1SC27H32N6O4Sc14123324(182826(35)20101122(362)23(1720)373)293027(33)381925(34)32151331(141632)218657921h41117H112161819H223H3(H2835)
MFCD05994062
ZINC000059758370
ZINC59758370
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