Vitas-M small molecule compound
2,6-dimethoxy-4-{(Z)-[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Catalog ID
STK839153
SMILES COc1cc(/C=C/2\N=C(OC2=O)c2ccc(c(c2)[N+](=O)[O-])C)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 C21H18N2O8 MW 426.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O8/c1-11-5-6-14(10-16(11)23(26)27)20-22-15(21(25)31-20)7-13-8-17(28-3)19(30-12(2)24)18(9-13)29-4/h5-10H,1-4H3/b15-7-InChIKey
FHAHIDOFBUVKCK-CHHVJCJISA-NSynonyms
(26DIMETHOXY4((Z)(2(4METHYL3NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)ACETATE
(Z)26dimethoxy4((2(4methyl3nitrophenyl)5oxooxazol4(5H)ylidene)methyl)phenylacetate
26dimethoxy4((Z)(2(4methyl3nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)phenylacetate
CC1=C(C=C(C=C1)C2=NC(=CC3=CC(=C(C(=C3)OC)OC(=O)C)OC)C(=O)O2)(N+)(=O)(O)
COc1cc(C=C2N=C(OC2=O)c2ccc(c(c2)(N+)(=O)(O))C)cc(c1OC(=O)C)OC
InChI=1SC21H18N2O8c1115614(1016(11)23(26)27)202215(21(25)3120)713817(283)19(3012(2)24)18(913)294h510H14H3b157
MFCD02984138
ZINC000009041829
ZINC09041829
ZINC9041829
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