Vitas-M small molecule compound

2-[(4-chlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK040336
SMILES N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(cc1)OC)C(=O)CCC2

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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 C24H21ClN2O2S MW 436.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O2S/c1-29-18-11-7-16(8-12-18)22-19(13-26)24(27-20-3-2-4-21(28)23(20)22)30-14-15-5-9-17(25)10-6-15/h5-12,22,27H,2-4,14H2,1H3
InChIKey
BXZIRTNCVVMUGR-UHFFFAOYSA-N
Synonyms
612513-93-6
2((4chlorobenzyl)sulfanyl)4(4methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorobenzyl)thio)4(4methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((4chlorophenyl)methylsulfanyl)4(4methoxyphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
612513936
COC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=C(C=C4)Cl)C#N
InChI=1SC24H21ClN2O2Sc1291811716(81218)2219(1326)24(272032421(28)23(20)22)3014155917(25)10615h5122227H2414H21H3
MFCD03669666
N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(cc1)OC)C(=O)CCC2
STK040336
ZINC000020123646
ZINC000020123648

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Available files

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