Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK886158
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)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 C26H22ClN3O4S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4S/c1-26(2)11-20-24(21(31)12-26)23(16-4-3-5-18(10-16)30(33)34)19(13-28)25(29-20)35-14-22(32)15-6-8-17(27)9-7-15/h3-10,23,29H,11-12,14H2,1-2H3InChIKey
WNBVNRZZSGUQBJ-UHFFFAOYSA-NSynonyms
2((2(4chlorophenyl)2oxoethyl)sulfanyl)77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2(2(4chlorophenyl)2oxoethyl)sulfanyl77dimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)Cl)C#N)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC26H22ClN3O4Sc126(2)112024(21(31)1226)23(1643518(1016)30(33)34)19(1328)25(2920)351422(32)156817(27)9715h3102329H111214H212H3
MFCD18172034
N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000035682049
ZINC000035682050
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