Vitas-M small molecule compound
ethyl 3-(4-methylphenyl)-3-{[(1-nitro-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonyl]amino}propanoate
Catalog ID
STK776484
SMILES CCOC(=O)CC(c1ccc(cc1)C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1
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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 C27H22N2O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7/c1-3-36-22(30)14-21(16-10-8-15(2)9-11-16)28-27(33)20-13-12-19-23(24(20)29(34)35)26(32)18-7-5-4-6-17(18)25(19)31/h4-13,21H,3,14H2,1-2H3,(H,28,33)InChIKey
GZXIWFWZAGBXET-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)(N+)(=O)(O)
CCOC(=O)CC(c1ccc(cc1)C)NC(=O)c1ccc2c(c1(N+)(=O)(O))C(=O)c1c(C2=O)cccc1
ethyl3(4methylphenyl)3(((1nitro910dioxo910dihydroanthracen2yl)carbonyl)amino)propanoate
ETHYL3(4METHYLPHENYL)3((1NITRO910DIOXOANTHRACENE2CARBONYL)AMINO)PROPANOATE
InChI=1SC27H22N2O7c133622(30)1421(1610815(2)91116)2827(33)2013121923(24(20)29(34)35)26(32)18754617(18)25(19)31h41321H314H212H3(H2833)
MFCD05259048
ZINC000012413171
ZINC000012413173
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