Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK870664
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC2=C(C1c1ccc(cc1)OC)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 C27H25ClN2O3S MW 493.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3S/c1-27(2)12-21-25(22(31)13-27)24(17-6-10-19(33-3)11-7-17)20(14-29)26(30-21)34-15-23(32)16-4-8-18(28)9-5-16/h4-11,24,30H,12-13,15H2,1-3H3InChIKey
UZPJHGQTZUJKRR-UHFFFAOYSA-NSynonyms
612054-36-12((2(4chlorophenyl)2oxoethyl)sulfanyl)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2((2(4chlorophenyl)2oxoethyl)thio)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2(2(4chlorophenyl)2oxoethyl)sulfanyl4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
612054361
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)Cl)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC27H25ClN2O3Sc127(2)122125(22(31)1327)24(1761019(333)11717)20(1429)26(3021)341523(32)164818(28)9516h4112430H121315H213H3
MFCD03677454
ZINC000009014915
ZINC000009014916
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