Vitas-M small molecule compound

(3E)-3-[(4-methylphenyl)(nitro)methylidene]-2-benzofuran-1(3H)-one

Catalog ID
STK870776
SMILES Cc1ccc(cc1)/C(=C/1\OC(=O)c2c1cccc2)/[N+](=O)[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 C16H11NO4 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO4/c1-10-6-8-11(9-7-10)14(17(19)20)15-12-4-2-3-5-13(12)16(18)21-15/h2-9H,1H3/b15-14+
InChIKey
WVICXYCMBZEBGV-CCEZHUSRSA-N
Synonyms
92858-52-1
(3E)3((4methylphenyl)(nitro)methylidene)2benzofuran1(3H)one
(3E)3((4METHYLPHENYL)NITROMETHYLIDENE)2BENZOFURAN1ONE
(E)3(nitro(ptolyl)methylene)isobenzofuran1(3H)one
3((4METHYLPHENYL)NITROMETHYLENE)ISOBENZOFURAN1ONE
3(NITROPTOLYLMETHYLENE)3HISOBENZOFURAN1ONE
92858521
CC1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)(N+)(=O)(O)
Cc1ccc(cc1)C(=C1OC(=O)c2c1cccc2)(N+)(=O)(O)
InChI=1SC16H11NO4c1106811(9710)14(17(19)20)1512423513(12)16(18)2115h29H1H3b1514+
MFCD00630815
ZINC000000354014
ZINC00354014
ZINC354014

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Available files

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