Vitas-M small molecule compound
2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 2,4-dichlorobenzoate
Catalog ID
STK264447
SMILES Clc1ccc(c(c1)Cl)C(=O)OCC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
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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 C21H13Cl2NO6 MW 446.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2NO6/c22-14-3-10-18(19(23)11-14)21(26)29-12-20(25)13-1-6-16(7-2-13)30-17-8-4-15(5-9-17)24(27)28/h1-11H,12H2InChIKey
PKBMKGMOCHVWTL-UHFFFAOYSA-NSynonyms
(2(4(4NITROPHENOXY)PHENYL)2OXOETHYL)24DICHLOROBENZOATE
2(4(4nitrophenoxy)phenyl)2oxoethyl24dichlorobenzoate
C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=C(C=C2)Cl)Cl)OC3=CC=C(C=C3)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)C(=O)OCC(=O)c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H13Cl2NO6c221431018(19(23)1114)21(26)291220(25)131616(7213)30178415(5917)24(27)28h111H12H2
MFCD06755967
ZINC000013856543
ZINC13856543
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