Vitas-M small molecule compound
4-{(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK838248
SMILES COc1cc(/C=C/2\N=C(OC2=O)c2ccc(c(c2)[N+](=O)[O-])Cl)cc(c1OC(=O)C)OC
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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 C20H15ClN2O8 MW 446.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O8/c1-10(24)30-18-16(28-2)7-11(8-17(18)29-3)6-14-20(25)31-19(22-14)12-4-5-13(21)15(9-12)23(26)27/h4-9H,1-3H3/b14-6-InChIKey
SCQGVLSYYJMEGP-NSIKDUERSA-NSynonyms
(4((Z)(2(4CHLORO3NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)26DIMETHOXYPHENYL)ACETATE
(Z)4((2(4chloro3nitrophenyl)5oxooxazol4(5H)ylidene)methyl)26dimethoxyphenylacetate
4((Z)(2(4chloro3nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))OC
COc1cc(C=C2N=C(OC2=O)c2ccc(c(c2)(N+)(=O)(O))Cl)cc(c1OC(=O)C)OC
InChI=1SC20H15ClN2O8c110(24)301816(282)711(817(18)293)61420(25)3119(2214)124513(21)15(912)23(26)27h49H13H3b146
MFCD02984113
ZINC000000677521
ZINC00677521
ZINC677521
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