Vitas-M small molecule compound
cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK085506
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)F)C(=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 C31H34FNO5 MW 519.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34FNO5/c1-18-28(31(35)38-23-7-5-4-6-8-23)29(19-9-12-22(32)13-10-19)30-24(33-18)15-21(16-25(30)34)20-11-14-26(36-2)27(17-20)37-3/h9-14,17,21,23,29,33H,4-8,15-16H2,1-3H3InChIKey
CCXNBXWNUQWAJV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F)C(=O)OC5CCCCC5
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)F)C(=O)OC1CCCCC1)C
cyclohexyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34FNO5c11828(31(35)38237546823)29(1991222(32)131019)3024(3318)1521(1625(30)34)20111426(362)27(1720)373h9141721232933H481516H213H3
MFCD02224227
STK085506
ZINC000000679076
ZINC000000679088
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