Vitas-M small molecule compound

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

Catalog ID
STK085594
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCC1)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 C30H32N2O7 MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O7/c1-17-27(30(34)39-22-9-4-5-10-22)28(19-7-6-8-21(13-19)32(35)36)29-23(31-17)14-20(15-24(29)33)18-11-12-25(37-2)26(16-18)38-3/h6-8,11-13,16,20,22,28,31H,4-5,9-10,14-15H2,1-3H3
InChIKey
ZLMROMGHSUDRPB-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC5CCCC5
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OC1CCCC1)C
cyclopentyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32N2O7c11727(30(34)39229451022)28(1976821(1319)32(35)36)2923(3117)1420(1524(29)33)18111225(372)26(1618)383h6811131620222831H459101415H213H3
MFCD02224289
STK085594
ZINC000000863528
ZINC000000863531

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Available files

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