Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406131
SMILES COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)F)C(=O)OCC1CCCO1
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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 C31H34FNO7 MW 551.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34FNO7/c1-17-26(31(35)40-16-21-6-5-13-39-21)27(22-11-12-25(36-2)30(38-4)29(22)37-3)28-23(33-17)14-19(15-24(28)34)18-7-9-20(32)10-8-18/h7-12,19,21,27,33H,5-6,13-16H2,1-4H3InChIKey
YXVGCXQYHHTGPS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OCC5CCCO5
InChI=1SC31H34FNO7c11726(31(35)40162165133921)27(22111225(362)30(384)29(22)373)2823(3317)1419(1524(28)34)187920(32)10818h71219212733H561316H214H3
MFCD05986813
oxolan2ylmethyl7(4fluorophenyl)2methyl5oxo4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(4fluorophenyl)2methyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ZINC000059596033
ZINC000229949420
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