Vitas-M small molecule compound

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

Catalog ID
STK005988
SMILES COc1ccc(c(c1)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-16(2)34-28(31)25-17(3)29-22-13-19(18-9-7-6-8-10-18)14-23(30)27(22)26(25)21-12-11-20(32-4)15-24(21)33-5/h6-12,15-16,19,26,29H,13-14H2,1-5H3
InChIKey
XVJWGPSPKVQMIV-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC)C(=O)OC(C)C
COc1ccc(c(c1)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(C)C
InChI=1SC28H31NO5c116(2)3428(31)2517(3)29221319(1897681018)1423(30)27(22)26(25)21121120(324)1524(21)335h6121516192629H1314H215H3
MFCD00771299
propan2yl4(24dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(24dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK005988
ZINC000019798804
ZINC000019798809

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Available files

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