Vitas-M small molecule compound

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

Catalog ID
STK403041
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CC(C2)c1cccs1)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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-15-9-10-17(13-21(15)29(32)33)25-24(27(31)34-19-6-3-4-7-19)16(2)28-20-12-18(14-22(30)26(20)25)23-8-5-11-35-23/h5,8-11,13,18-19,25,28H,3-4,6-7,12,14H2,1-2H3
InChIKey
AVZVHWGODYXBSB-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC5CCCC5)C)(N+)(=O)(O)
cyclopentyl2methyl4(4methyl3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl4(4methyl3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28N2O5Sc11591017(1321(15)29(32)33)2524(27(31)3419634719)16(2)28201218(1422(30)26(20)25)2385113523h58111318192528H34671214H212H3
MFCD03145424
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1cccs1)OC1CCCC1
ZINC000012462437
ZINC000012462440

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Available files

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