Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-(3,4-dicyanophenoxy)benzoate
Catalog ID
STK388564
SMILES N#Cc1cc(ccc1C#N)Oc1cccc(c1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C23H12ClN3O6 MW 461.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H12ClN3O6/c24-20-7-5-14(10-21(20)27(30)31)22(28)13-32-23(29)15-2-1-3-18(8-15)33-19-6-4-16(11-25)17(9-19)12-26/h1-10H,13H2InChIKey
VNGNFDDGHMNCBU-UHFFFAOYSA-NSynonyms
354533-66-7(2(4CHLORO3NITROPHENYL)2OXOETHYL)3(34DICYANOPHENOXY)BENZOATE
2(4chloro3nitrophenyl)2oxoethyl3(34dicyanophenoxy)benzoate
354533667
C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC23H12ClN3O6c24207514(1021(20)27(30)31)22(28)133223(29)1521318(815)33196416(1125)17(919)1226h110H13H2
MFCD01798202
N#Cc1cc(ccc1C#N)Oc1cccc(c1)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001312189
ZINC01312189
ZINC1312189
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