Vitas-M small molecule compound

4-{(Z)-[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl ethyl carbonate

Catalog ID
STL052065
SMILES CCOC(=O)Oc1ccc(cc1OC)/C=C/1\N=C(OC1=O)c1cc(ccc1Cl)[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 C20H15ClN2O8 MW 446.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O8/c1-3-29-20(25)30-16-7-4-11(9-17(16)28-2)8-15-19(24)31-18(22-15)13-10-12(23(26)27)5-6-14(13)21/h4-10H,3H2,1-2H3/b15-8-
InChIKey
SMZDHPGTGGBTJJ-NVNXTCNLSA-N
Synonyms
377056-00-3
(4((Z)(2(2CHLORO5NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2METHOXYPHENYL)ETHYLCARBONATE
(Z)4((2(2chloro5nitrophenyl)5oxooxazol4(5H)ylidene)methyl)2methoxyphenylethylcarbonate
377056003
4((Z)(2(2chloro5nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)2methoxyphenylethylcarbonate
CCOC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)OC
CCOC(=O)Oc1ccc(cc1OC)C=C1N=C(OC1=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC20H15ClN2O8c132920(25)30167411(917(16)282)81519(24)3118(2215)131012(23(26)27)5614(13)21h410H3H212H3b158
MFCD02983042
ZINC000001877563
ZINC01877563
ZINC1877563

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Available files

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