Vitas-M small molecule compound
ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK058133
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-6-34-28(31)25-17(3)29-21-13-20(18-10-11-23(32-4)24(15-18)33-5)14-22(30)27(21)26(25)19-9-7-8-16(2)12-19/h7-12,15,20,26,29H,6,13-14H2,1-5H3InChIKey
CEBHQHDTSCPOPF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)C)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
ethyl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5c163428(31)2517(3)29211320(18101123(324)24(1518)335)1422(30)27(21)26(25)1997816(2)1219h71215202629H61314H215H3
MFCD02224206
STK058133
ZINC000000863424
ZINC000000863427
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