Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-[(3-chlorophenyl)amino]-5-oxopentanoate
Catalog ID
STK269517
SMILES O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCCC(=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 C20H19ClN2O6 MW 418.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O6/c1-13-8-9-14(10-17(13)23(27)28)18(24)12-29-20(26)7-3-6-19(25)22-16-5-2-4-15(21)11-16/h2,4-5,8-11H,3,6-7,12H2,1H3,(H,22,25)InChIKey
UWKDHEUIELEQML-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)5(3CHLOROANILINO)5OXOPENTANOATE
2(4methyl3nitrophenyl)2oxoethyl5((3chlorophenyl)amino)5oxopentanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC(=CC=C2)Cl)(N+)(=O)(O)
InChI=1SC20H19ClN2O6c1138914(1017(13)23(27)28)18(24)122920(26)73619(25)221652415(21)1116h245811H36712H21H3(H2225)
MFCD02318525
O=C(OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CCCC(=O)Nc1cccc(c1)Cl
ZINC000002985917
ZINC02985917
ZINC2985917
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