Vitas-M small molecule compound
N-[(2S)-1-[(4-bromo-3-methylphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Catalog ID
STK568321
SMILES CSCC[C@@H](C(=O)Nc1ccc(c(c1)C)Br)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(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 C25H32BrN3O4S2 MW 582.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32BrN3O4S2/c1-17-4-7-21(8-5-17)35(32,33)29-13-10-19(11-14-29)24(30)28-23(12-15-34-3)25(31)27-20-6-9-22(26)18(2)16-20/h4-9,16,19,23H,10-15H2,1-3H3,(H,27,31)(H,28,30)/t23-/m0/s1InChIKey
HDZFERPZTYHEMM-QHCPKHFHSA-NSynonyms
(S)N(1((4bromo3methylphenyl)amino)4(methylthio)1oxobutan2yl)1tosylpiperidine4carboxamide
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NC3=CC(=C(C=C3)Br)C
CSCC(C@@H)(C(=O)Nc1ccc(c(c1)C)Br)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
InChI=1SC25H32BrN3O4S2c1174721(8517)35(3233)29131019(111429)24(30)2823(1215343)25(31)27206922(26)18(2)1620h49161923H1015H213H3(H2731)(H2830)t23m0s1
MFCD04008296
N((2S)1((4bromo3methylphenyl)amino)4(methylsulfanyl)1oxobutan2yl)1((4methylphenyl)sulfonyl)piperidine4carboxamide
N((2S)1(4bromo3methylanilino)4methylsulfanyl1oxobutan2yl)1(4methylphenyl)sulfonylpiperidine4carboxamide
ZINC000102551711
ZINC102551711
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