Vitas-M small molecule compound

methyl 7-[4-(dimethylamino)phenyl]-4-(2-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406879
SMILES CCOc1c(OC)cccc1C1C2=C(CC(CC2=O)c2ccc(cc2)N(C)C)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 C29H34N2O5 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O5/c1-7-36-28-21(9-8-10-24(28)34-5)26-25(29(33)35-6)17(2)30-22-15-19(16-23(32)27(22)26)18-11-13-20(14-12-18)31(3)4/h8-14,19,26,30H,7,15-16H2,1-6H3
InChIKey
DSYZAEZPRASMAA-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC=C1OC)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)N(C)C)NC(=C2C(=O)OC)C
InChI=1SC29H34N2O5c17362821(981024(28)345)2625(29(33)356)17(2)30221519(1623(32)27(22)26)18111320(141218)31(3)4h814192630H71516H216H3
methyl7(4(dimethylamino)phenyl)4(2ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl7(4(dimethylamino)phenyl)4(2ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06000288
ZINC000016392903
ZINC000016392911

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Available files

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