Vitas-M small molecule compound
3-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK055429
SMILES Clc1cccc(c1)C1=N/C(=C\c2cccc(c2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)O1
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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 C23H13ClN2O6 MW 448.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13ClN2O6/c24-17-7-2-5-15(12-17)21-25-20(23(28)32-21)11-14-4-1-9-19(10-14)31-22(27)16-6-3-8-18(13-16)26(29)30/h1-13H/b20-11-InChIKey
PBDUKOBKVINTNE-JAIQZWGSSA-NSynonyms
(3((Z)(2(3CHLOROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)3NITROBENZOATE
3((Z)(2(3CHLOROPHENYL)5OXO13OXAZOL4(5H)YLIDENE)METHYL)PHENYL3NITROBENZOATE
C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C=C3C(=O)OC(=N3)C4=CC(=CC=C4)Cl
Clc1cccc(c1)C1=NC(=Cc2cccc(c2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)O1
InChI=1SC23H13ClN2O6c241772515(1217)212520(23(28)3221)111441919(1014)3122(27)1663818(1316)26(29)30h113Hb2011
MFCD02192762
STK055429
ZINC000002953124
ZINC02953124
ZINC2953124
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