Vitas-M small molecule compound
4-{(Z)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl butanoate
Catalog ID
STK535584
SMILES CCCC(=O)Oc1ccc(cc1OCC)/C=C/1\N=C(OC1=O)c1ccc(cc1Cl)[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 C22H19ClN2O7 MW 458.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O7/c1-3-5-20(26)31-18-9-6-13(11-19(18)30-4-2)10-17-22(27)32-21(24-17)15-8-7-14(25(28)29)12-16(15)23/h6-12H,3-5H2,1-2H3/b17-10-InChIKey
ZSSLAYYKBZONOL-YVLHZVERSA-NSynonyms
(4((Z)(2(2CHLORO4NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2ETHOXYPHENYL)BUTANOATE
(Z)4((2(2chloro4nitrophenyl)5oxooxazol4(5H)ylidene)methyl)2ethoxyphenylbutyrate
4((Z)(2(2chloro4nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)2ethoxyphenylbutanoate
CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OCC
CCCC(=O)Oc1ccc(cc1OCC)C=C1N=C(OC1=O)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC22H19ClN2O7c13520(26)31189613(1119(18)3042)101722(27)3221(2417)158714(25(28)29)1216(15)23h612H35H212H3b1710
MFCD01170032
ZINC000001807847
ZINC01807847
ZINC1807847
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