Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407821
SMILES CCOc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc(Cl)c(c(c1)OC)O)C(=O)OCC1CCCO1)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 C31H34ClNO7 MW 568.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO7/c1-4-38-21-9-7-18(8-10-21)19-13-24-29(25(34)14-19)28(20-12-23(32)30(35)26(15-20)37-3)27(17(2)33-24)31(36)40-16-22-6-5-11-39-22/h7-10,12,15,19,22,28,33,35H,4-6,11,13-14,16H2,1-3H3InChIKey
VULGWCJDPOCGAQ-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OCC4CCCO4)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)C2
InChI=1SC31H34ClNO7c1438219718(81021)19132429(25(34)1419)28(201223(32)30(35)26(1520)373)27(17(2)3324)31(36)40162265113922h71012151922283335H4611131416H213H3
MFCD07358848
oxolan2ylmethyl4(3chloro4hydroxy5methoxyphenyl)7(4ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3chloro4hydroxy5methoxyphenyl)7(4ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000059620903
ZINC000239235339
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