Vitas-M small molecule compound

2-phenylethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK094372
SMILES Cc1ccc(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 C26H27NO3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3/c1-17-11-13-20(14-12-17)24-23(18(2)27-21-9-6-10-22(28)25(21)24)26(29)30-16-15-19-7-4-3-5-8-19/h3-5,7-8,11-14,24,27H,6,9-10,15-16H2,1-2H3
InChIKey
KHNDRMHHYLGKJF-UHFFFAOYSA-N
Synonyms

2phenylethyl2methyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl2methyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C
Cc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
InChI=1SC26H27NO3c117111320(141217)2423(18(2)2721961022(28)25(21)24)26(29)301615197435819h357811142427H69101516H212H3
MFCD01193817
STK094372
ZINC000000844340
ZINC000000844341

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Available files

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