Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[4-(methoxycarbonyl)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403088
SMILES COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)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 C31H33NO7 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO7/c1-18-27(31(35)39-17-22-7-6-14-38-22)28(19-10-12-20(13-11-19)30(34)37-3)29-24(32-18)15-21(16-25(29)33)23-8-4-5-9-26(23)36-2/h4-5,8-13,21-22,28,32H,6-7,14-17H2,1-3H3InChIKey
CACBVCVOVFJSRH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)C(=O)OC)C(=O)OCC5CCCO5
InChI=1SC31H33NO7c11827(31(35)39172276143822)28(19101220(131119)30(34)373)2924(3218)1521(1625(29)33)23845926(23)362h4581321222832H671417H213H3
MFCD03371077
oxolan2ylmethyl4(4methoxycarbonylphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4(methoxycarbonyl)phenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000020109671
ZINC000229904696
ZINC03639951
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