Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 4-[(4-methyl-2-nitrophenyl)amino]-4-oxobutanoate
Catalog ID
STK328292
SMILES O=C(OCC(=O)c1ccc(c(c1)C)C)CCC(=O)Nc1ccc(cc1[N+](=O)[O-])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 C21H22N2O6 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6/c1-13-4-7-17(18(10-13)23(27)28)22-20(25)8-9-21(26)29-12-19(24)16-6-5-14(2)15(3)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,25)InChIKey
NSBGWUXSSREIFJ-UHFFFAOYSA-NSynonyms
690990-27-3(2(34DIMETHYLPHENYL)2OXOETHYL)4(4METHYL2NITROANILINO)4OXOBUTANOATE
2(34dimethylphenyl)2oxoethyl4((4methyl2nitrophenyl)amino)4oxobutanoate
690990273
CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)C)C)(N+)(=O)(O)
InChI=1SC21H22N2O6c1134717(18(1013)23(27)28)2220(25)8921(26)291219(24)166514(2)15(3)1116h471011H8912H213H3(H2225)
MFCD03719585
O=C(OCC(=O)c1ccc(c(c1)C)C)CCC(=O)Nc1ccc(cc1(N+)(=O)(O))C
ZINC000004915624
ZINC04915624
ZINC4915624
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