Vitas-M small molecule compound
2-chloro-6-methoxy-4-{(Z)-[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Catalog ID
STL000478
SMILES COc1cc(/C=C/2\N=C(OC2=O)c2ccc(c(c2)[N+](=O)[O-])C)cc(c1OC(=O)C)Cl
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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 C20H15ClN2O7 MW 430.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O7/c1-10-4-5-13(9-16(10)23(26)27)19-22-15(20(25)30-19)7-12-6-14(21)18(29-11(2)24)17(8-12)28-3/h4-9H,1-3H3/b15-7-InChIKey
QMQGWHHVDDPKIG-CHHVJCJISA-NSynonyms
(2CHLORO6METHOXY4((Z)(2(4METHYL3NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)ACETATE
(Z)2chloro6methoxy4((2(4methyl3nitrophenyl)5oxooxazol4(5H)ylidene)methyl)phenylacetate
2chloro6methoxy4((Z)(2(4methyl3nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)phenylacetate
CC1=C(C=C(C=C1)C2=NC(=CC3=CC(=C(C(=C3)Cl)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)Cl
InChI=1SC20H15ClN2O7c1104513(916(10)23(26)27)192215(20(25)3019)712614(21)18(2911(2)24)17(812)283h49H13H3b157
MFCD01054352
ZINC000009065207
ZINC09065207
ZINC9065207
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