Vitas-M small molecule compound
ethyl 4-[(3Z)-3-[hydroxy(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
Catalog ID
STL045949
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C(=O)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C1c1ccc(cc1)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 C27H22N2O8 MW 502.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O8/c1-3-37-27(33)18-6-10-19(11-7-18)28-23(16-8-14-21(36-2)15-9-16)22(25(31)26(28)32)24(30)17-4-12-20(13-5-17)29(34)35/h4-15,23,30H,3H2,1-2H3/b24-22-InChIKey
ZJCUOBRBOLCZMR-GYHWCHFESA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)(N+)(=O)(O))O)C(=O)C2=O)C4=CC=C(C=C4)OC
CCOC(=O)c1ccc(cc1)N1C(=O)C(=O)C(=C(c2ccc(cc2)(N+)(=O)(O))O)C1c1ccc(cc1)OC
ethyl4((3Z)3(hydroxy(4nitrophenyl)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)benzoate
InChI=1SC27H22N2O8c133727(33)1861019(11718)2823(1681421(362)15916)22(25(31)26(28)32)24(30)1741220(13517)29(34)35h4152330H3H212H3b2422
MFCD03805072
ZINC000102879849
ZINC000102879851
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