Vitas-M small molecule compound
methyl (2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK516328
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/O2
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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 C21H13NO7 MW 391.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO7/c1-27-21(24)13-5-7-18-16(10-13)20(23)19(29-18)11-15-6-8-17(28-15)12-3-2-4-14(9-12)22(25)26/h2-11H,1H3/b19-11+InChIKey
QSBRXOJBHSIBDV-YBFXNURJSA-NSynonyms
COC(=O)C1=CC2=C(C=C1)OC(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C2=O
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))O2
InChI=1SC21H13NO7c12721(24)13571816(1013)20(23)19(2918)11156817(2815)1232414(912)22(25)26h211H1H3b1911+
methyl(2E)2((5(3nitrophenyl)furan2yl)methylidene)3oxo1benzofuran5carboxylate
methyl(2E)2((5(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
MFCD06645626
ZINC000016742309
ZINC16742309
Check stock
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Check stock on Vitas-MAvailable files
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