Vitas-M small molecule compound
cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK074271
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)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)38-21-9-5-4-6-10-21)29(22-11-7-8-12-23(22)32)30-24(33-18)15-20(16-25(30)34)19-13-14-26(36-2)27(17-19)37-3/h7-8,11-14,17,20-21,29,33H,4-6,9-10,15-16H2,1-3H3InChIKey
HFRTYPILXWSMFH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4F)C(=O)OC5CCCCC5
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OC1CCCCC1)C
cyclohexyl7(34dimethoxyphenyl)4(2fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(34dimethoxyphenyl)4(2fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34FNO5c11828(31(35)382195461021)29(2211781223(22)32)3024(3318)1520(1625(30)34)19131426(362)27(1719)373h7811141720212933H469101516H213H3
MFCD02224250
STK074271
ZINC000000679213
ZINC000000679221
ZINC00679218
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