Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-[(3-chlorophenyl)amino]-4-oxobutanoate
Catalog ID
STK269493
SMILES O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCC(=O)Nc1cccc(c1)Cl
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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 C19H17ClN2O6 MW 404.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O6/c1-12-5-6-13(9-16(12)22(26)27)17(23)11-28-19(25)8-7-18(24)21-15-4-2-3-14(20)10-15/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)InChIKey
NMKFGUDQSDCGNN-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)4(3CHLOROANILINO)4OXOBUTANOATE
2(4methyl3nitrophenyl)2oxoethyl4((3chlorophenyl)amino)4oxobutanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl)(N+)(=O)(O)
InChI=1SC19H17ClN2O6c1125613(916(12)22(26)27)17(23)112819(25)8718(24)211542314(20)1015h26910H7811H21H3(H2124)
MFCD02318431
O=C(OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CCC(=O)Nc1cccc(c1)Cl
ZINC000002984124
ZINC02984124
ZINC2984124
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