Vitas-M small molecule compound

(3Z)-3-[(2,5-dimethylphenyl)(nitro)methylidene]-2-benzofuran-1(3H)-one

Catalog ID
STK870713
SMILES Cc1ccc(c(c1)/C(=C\1/OC(=O)c2c1cccc2)/[N+](=O)[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 C17H13NO4 MW 295.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO4/c1-10-7-8-11(2)14(9-10)15(18(20)21)16-12-5-3-4-6-13(12)17(19)22-16/h3-9H,1-2H3/b16-15-
InChIKey
XOSVEWMBEWFHTH-NXVVXOECSA-N
Synonyms
30516-70-2
(3Z)3((25dimethylphenyl)(nitro)methylidene)2benzofuran1(3H)one
(3Z)3((25DIMETHYLPHENYL)NITROMETHYLIDENE)2BENZOFURAN1ONE
(Z)3((25dimethylphenyl)(nitro)methylene)isobenzofuran1(3H)one
3((25DIMETHYLPHENYL)NITROMETHYLENE)3HISOBENZOFURAN1ONE
3((25DIMETHYLPHENYL)NITROMETHYLENE)ISOBENZOFURAN1ONE
30516702
CC1=CC(=C(C=C1)C)C(=C2C3=CC=CC=C3C(=O)O2)(N+)(=O)(O)
Cc1ccc(c(c1)C(=C1OC(=O)c2c1cccc2)(N+)(=O)(O))C
InChI=1SC17H13NO4c1107811(2)14(910)15(18(20)21)1612534613(12)17(19)2216h39H12H3b1615
MFCD00630819
ZINC000001833541
ZINC01833541
ZINC1833541

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Available files

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