Vitas-M small molecule compound

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

Catalog ID
STK003708
SMILES CCOc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC)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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-6-35-20-9-7-8-18(12-20)26-25(28(31)34-5)16(2)29-21-13-19(14-22(30)27(21)26)17-10-11-23(32-3)24(15-17)33-4/h7-12,15,19,26,29H,6,13-14H2,1-5H3
InChIKey
HWHMWEKYYJPSSM-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC)C
CCOc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC)C
InChI=1SC28H31NO6c16352097818(1220)2625(28(31)345)16(2)29211319(1422(30)27(21)26)17101123(323)24(1517)334h71215192629H61314H215H3
methyl7(34dimethoxyphenyl)4(3ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl7(34dimethoxyphenyl)4(3ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02224268
STK003708
ZINC000006197086
ZINC000006197102

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Available files

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