Vitas-M small molecule compound
cyclohexyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK087261
SMILES COc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC1CCCCC1)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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-19-28(31(34)37-25-7-5-4-6-8-25)29(21-11-15-24(36-3)16-12-21)30-26(32-19)17-22(18-27(30)33)20-9-13-23(35-2)14-10-20/h9-16,22,25,29,32H,4-8,17-18H2,1-3H3InChIKey
FJZSFPXLVUJBAO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(=O)OC5CCCCC5
COc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC1CCCCC1)C
cyclohexyl47bis(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl47bis(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO5c11928(31(34)37257546825)29(21111524(363)161221)3026(3219)1722(1827(30)33)2091323(352)141020h91622252932H481718H213H3
MFCD01571917
STK087261
ZINC000000707859
ZINC000000707862
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