Vitas-M small molecule compound

2'-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile

Catalog ID
STL059042
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC2=C(C31CCCCC3)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 C25H27ClN2O2S MW 455.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O2S/c1-24(2)12-19-22(20(29)13-24)25(10-4-3-5-11-25)18(14-27)23(28-19)31-15-21(30)16-6-8-17(26)9-7-16/h6-9,28H,3-5,10-13,15H2,1-2H3
InChIKey
VKGIIYCQXWLCDS-UHFFFAOYSA-N
Synonyms
211613-60-4
2((2(4chlorophenyl)2oxoethyl)sulfanyl)77dimethyl5oxo5678tetrahydro1Hspiro(cyclohexane14quinoline)3carbonitrile
2((2(4chlorophenyl)2oxoethyl)thio)77dimethyl5oxo5678tetrahydro1Hspiro(cyclohexane14quinoline)3carbonitrile
2(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL77DIMETHYL5OXOSPIRO(68DIHYDRO1HQUINOLINE41CYCLOHEXANE)3CARBONITRILE
211613604
CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(=C(N2)SCC(=O)C4=CC=C(C=C4)Cl)C#N)C
InChI=1SC25H27ClN2O2Sc124(2)121922(20(29)1324)25(104351125)18(1427)23(2819)311521(30)166817(26)9716h6928H35101315H212H3
MFCD00326528
ZINC000008399642
ZINC08399642
ZINC104157029
ZINC8399642

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Available files

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