Vitas-M small molecule compound
methyl (2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate
Catalog ID
STK809349
SMILES COC(=O)/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)C
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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 C16H13NO6 MW 315.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO6/c1-10(18)14(16(19)22-2)9-13-6-7-15(23-13)11-4-3-5-12(8-11)17(20)21/h3-9H,1-2H3/b14-9+InChIKey
JKKQVBDHYSROCQ-NTEUORMPSA-NSynonyms
330683-82-4330683824
CC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC
COC(=O)C(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C(=O)C
InChI=1SC16H13NO6c110(18)14(16(19)222)9136715(2313)1143512(811)17(20)21h39H12H3b149+
methyl(2E)2((5(3nitrophenyl)furan2yl)methylidene)3oxobutanoate
METHYL2((5(3NITROPHENYL)FURAN2YL)METHYLENE)3OXOBUTANOATE
MFCD03461169
ZINC000016699629
ZINC16699629
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