Vitas-M small molecule compound
2-methoxyethyl 7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403115
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1OC
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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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-16-24(27(31)36-12-11-34-2)25(17-7-6-8-19(13-17)29(32)33)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)35-3/h4-10,13,18,25,28H,11-12,14-15H2,1-3H3InChIKey
VNRNSLHGKLQQCG-UHFFFAOYSA-NSynonyms
2methoxyethyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1OC
InChI=1SC27H28N2O7c11624(27(31)361211342)25(1776819(1317)29(32)33)2621(2816)1418(1522(26)30)209451023(20)353h41013182528H11121415H213H3
MFCD03146800
ZINC000002788532
ZINC000002788535
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