Vitas-M small molecule compound

ethyl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK048464
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1ccc(cc1)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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-6-35-28(31)25-16(2)29-21-13-19(17-7-10-20(32-3)11-8-17)14-22(30)27(21)26(25)18-9-12-23(33-4)24(15-18)34-5/h7-12,15,19,26,29H,6,13-14H2,1-5H3
InChIKey
BFIFLYMSRMEUCB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1ccc(cc1)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
ethyl4(34dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(34dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO6c163528(31)2516(2)29211319(1771020(323)11817)1422(30)27(21)26(25)1891223(334)24(1518)345h71215192629H61314H215H3
MFCD01445601
STK048464
ZINC000001095835
ZINC000001095838

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Available files

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