Vitas-M small molecule compound
(2Z)-2-(4-nitrobenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Catalog ID
STK851572
SMILES CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=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 C18H13NO6 MW 339.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO6/c1-11(20)10-24-14-6-7-15-16(9-14)25-17(18(15)21)8-12-2-4-13(5-3-12)19(22)23/h2-9H,10H2,1H3/b17-8-InChIKey
BREFAQXXUNCKAF-IUXPMGMMSA-NSynonyms
879807-67-7(2Z)2((4NITROPHENYL)METHYLIDENE)6(2OXOPROPOXY)1BENZOFURAN3ONE
(2Z)2(4nitrobenzylidene)6(2oxopropoxy)1benzofuran3(2H)one
(Z)2(4nitrobenzylidene)6(2oxopropoxy)benzofuran3(2H)one
2((4NITROPHENYL)METHYLENE)6(2OXOPROPOXY)BENZO(B)FURAN3ONE
879807677
CC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))O2
CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O
InChI=1SC18H13NO6c111(20)102414671516(914)2517(18(15)21)8122413(5312)19(22)23h29H10H21H3b178
MFCD06604538
ZINC000005399089
ZINC05399089
ZINC5399089
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