Vitas-M small molecule compound

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

Catalog ID
STK403134
SMILES COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-16(2)36-29(33)25-17(3)30-22-14-20(21-8-6-7-9-24(21)34-4)15-23(31)27(22)26(25)18-10-12-19(13-11-18)28(32)35-5/h6-13,16,20,26,30H,14-15H2,1-5H3
InChIKey
OKYLQZPUNLMOLR-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)C(=O)OC)C(=O)OC(C)C
InChI=1SC29H31NO6c116(2)3629(33)2517(3)30221420(21867924(21)344)1523(31)27(22)26(25)18101219(131118)28(32)355h61316202630H1415H215H3
MFCD03146421
propan2yl4(4(methoxycarbonyl)phenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4methoxycarbonylphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001155670
ZINC000001155673

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Available files

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