Vitas-M small molecule compound

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

Catalog ID
STK403026
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1OC)OC)C(=O)OC(C)C)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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-16(2)36-29(32)25-17(3)30-21-14-18(19-10-7-8-12-23(19)33-4)15-22(31)27(21)26(25)20-11-9-13-24(34-5)28(20)35-6/h7-13,16,18,26,30H,14-15H2,1-6H3
InChIKey
XVAWPWPFYDYWLJ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=C(C(=CC=C4)OC)OC)C(=O)OC(C)C
InChI=1SC29H33NO6c116(2)3629(32)2517(3)30211418(1910781223(19)334)1522(31)27(21)26(25)201191324(345)28(20)356h71316182630H1415H216H3
MFCD03371039
propan2yl4(23dimethoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(23dimethoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001438600
ZINC000001438603

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Available files

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