Vitas-M small molecule compound

3-cyclohexyl 6-methyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404448
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCCC1)c1ccccc1C

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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 C27H33NO5 MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5/c1-15-10-8-9-13-19(15)23-22(27(31)33-18-11-6-5-7-12-18)17(3)28-20-14-16(2)21(26(30)32-4)25(29)24(20)23/h8-10,13,16,18,21,23,28H,5-7,11-12,14H2,1-4H3
InChIKey
BTFFUCTYMKXPFG-UHFFFAOYSA-N
Synonyms

3cyclohexyl6methyl27dimethyl4(2methylphenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl27dimethyl4(2methylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC=CC=C4C)C(=O)C1C(=O)OC
InChI=1SC27H33NO5c11510891319(15)2322(27(31)3318116571218)17(3)28201416(2)21(26(30)324)25(29)24(20)23h810131618212328H57111214H214H3
MFCD04220490
ZINC000004767447
ZINC000004767455

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Available files

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