Vitas-M small molecule compound

2-phenylethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK376645
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1

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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 C26H27NO3S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3S/c1-17-23(26(29)30-16-15-18-7-4-3-5-8-18)24(19-11-13-20(31-2)14-12-19)25-21(27-17)9-6-10-22(25)28/h3-5,7-8,11-14,24,27H,6,9-10,15-16H2,1-2H3
InChIKey
TXKMGHFTPVRGSX-UHFFFAOYSA-N
Synonyms

2phenylethyl2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)OCCC4=CC=CC=C4
InChI=1SC26H27NO3Sc11723(26(29)301615187435818)24(19111320(312)141219)2521(2717)961022(25)28h357811142427H69101516H212H3
MFCD01193798
ZINC000019770762
ZINC000019770763

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Available files

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