Vitas-M small molecule compound

4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Catalog ID
STK526596
SMILES N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc2c(c1c1ccc(cc1)Cl)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 C29H21ClN2O4S MW 529.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O4S/c1-29(2)12-21-26(22(33)13-29)25(16-7-9-18(30)10-8-16)20(14-31)27(32-21)37-15-23(34)19-11-17-5-3-4-6-24(17)36-28(19)35/h3-11H,12-13,15H2,1-2H3
InChIKey
NKKPKYLTVPKWOV-UHFFFAOYSA-N
Synonyms
303042-24-2
303042242
4(4chlorophenyl)77dimethyl5oxo2((2oxo2(2oxo2Hchromen3yl)ethyl)sulfanyl)5678tetrahydroquinoline3carbonitrile
4(4chlorophenyl)77dimethyl5oxo2((2oxo2(2oxo2Hchromen3yl)ethyl)thio)5678tetrahydroquinoline3carbonitrile
4(4CHLOROPHENYL)77DIMETHYL5OXO2(2OXO2(2OXOCHROMEN3YL)ETHYL)SULFANYL68DIHYDROQUINOLINE3CARBONITRILE
CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)Cl)C
InChI=1SC29H21ClN2O4Sc129(2)122126(22(33)1329)25(167918(30)10816)20(1431)27(3221)371523(34)191117534624(17)3628(19)35h311H121315H212H3
ZINC000002346863
ZINC2346863

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Available files

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