Vitas-M small molecule compound

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

Catalog ID
STK372440
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1[N+](=O)[O-])C(=O)CCC2)OCc1ccccc1

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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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c1-15-21(24(28)31-14-16-8-3-2-4-9-16)22(17-10-5-6-12-19(17)26(29)30)23-18(25-15)11-7-13-20(23)27/h2-6,8-10,12,22,25H,7,11,13-14H2,1H3
InChIKey
HSAXTSHTYHIOGA-UHFFFAOYSA-N
Synonyms

benzyl2methyl4(2nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl2methyl4(2nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC24H22N2O5c11521(24(28)3114168324916)22(1710561219(17)26(29)30)2318(2515)1171320(23)27h26810122225H7111314H21H3
MFCD00771222
O=C(C1=C(C)NC2=C(C1c1ccccc1(N+)(=O)(O))C(=O)CCC2)OCc1ccccc1
ZINC000019855079
ZINC000019855082

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Available files

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