Vitas-M small molecule compound
cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022846
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
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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/c1-19-27(31(34)37-22-13-8-5-9-14-22)28(23-15-10-16-26(35-2)30(23)36-3)29-24(32-19)17-21(18-25(29)33)20-11-6-4-7-12-20/h4,6-7,10-12,15-16,21-22,28,32H,5,8-9,13-14,17-18H2,1-3H3InChIKey
YTKRRPVCSQNFCK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C(C(=CC=C4)OC)OC)C(=O)OC5CCCCC5
COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
cyclohexyl4(23dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(23dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO5c11927(31(34)3722138591422)28(2315101626(352)30(23)363)2924(3219)1721(1825(29)33)20116471220h4671012151621222832H58913141718H213H3
MFCD01136960
STK022846
ZINC000000647403
ZINC000000647421
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