Vitas-M small molecule compound
(4Z)-2-(2-chloro-4-nitrophenyl)-4-(3,4-diethoxybenzylidene)-1,3-oxazol-5(4H)-one
Catalog ID
STK535671
SMILES CCOc1cc(ccc1OCC)/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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-3-27-17-8-5-12(10-18(17)28-4-2)9-16-20(24)29-19(22-16)14-7-6-13(23(25)26)11-15(14)21/h5-11H,3-4H2,1-2H3/b16-9-InChIKey
ASDBZWVWPKCGIG-SXGWCWSVSA-NSynonyms
(4Z)2(2CHLORO4NITROPHENYL)4((34DIETHOXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(2chloro4nitrophenyl)4(34diethoxybenzylidene)13oxazol5(4H)one
(Z)2(2chloro4nitrophenyl)4(34diethoxybenzylidene)oxazol5(4H)one
CCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OCC
CCOc1cc(ccc1OCC)C=C1N=C(OC1=O)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC20H17ClN2O6c1327178512(1018(17)2842)91620(24)2919(2216)147613(23(25)26)1115(14)21h511H34H212H3b169
MFCD01118195
ZINC000001810759
ZINC01810759
ZINC1810759
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