Vitas-M small molecule compound

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

Catalog ID
STK001240
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1

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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 C30H33NO5 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO5/c1-18-27(30(33)36-22-11-7-8-12-22)28(20-13-14-25(34-2)26(17-20)35-3)29-23(31-18)15-21(16-24(29)32)19-9-5-4-6-10-19/h4-6,9-10,13-14,17,21-22,28,31H,7-8,11-12,15-16H2,1-3H3
InChIKey
KXJXIBGCYRNHSK-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)OC5CCCC5
COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1
cyclopentyl4(34dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl4(34dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H33NO5c11827(30(33)362211781222)28(20131425(342)26(1720)353)2923(3118)1521(1624(29)32)1995461019h4691013141721222831H7811121516H213H3
MFCD00771500
STK001240
ZINC000019798245
ZINC000019798250

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Available files

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