Vitas-M small molecule compound

(3Z)-3-[(4-ethylnaphthalen-1-yl)(nitro)methylidene]-2-benzofuran-1(3H)-one

Catalog ID
STK870778
SMILES CCc1ccc(c2c1cccc2)/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 C21H15NO4 MW 345.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO4/c1-2-13-11-12-16(15-8-4-3-7-14(13)15)19(22(24)25)20-17-9-5-6-10-18(17)21(23)26-20/h3-12H,2H2,1H3/b20-19-
InChIKey
MLYJXEUOKVFZJV-VXPUYCOJSA-N
Synonyms
30645-75-1
(3Z)3((4ethylnaphthalen1yl)(nitro)methylidene)2benzofuran1(3H)one
(3Z)3((4ETHYLNAPHTHALEN1YL)NITROMETHYLIDENE)2BENZOFURAN1ONE
(Z)3((4ethylnaphthalen1yl)(nitro)methylene)isobenzofuran1(3H)one
3((4ETHYLNAPHTHALEN1YL)NITROMETHYLENE)3HISOBENZOFURAN1ONE
3((4ETHYLNAPHTHYL)NITROMETHYLENE)ISOBENZOFURAN1ONE
30645751
CCC1=CC=C(C2=CC=CC=C12)C(=C3C4=CC=CC=C4C(=O)O3)(N+)(=O)(O)
CCc1ccc(c2c1cccc2)C(=C1OC(=O)c2c1cccc2)(N+)(=O)(O)
InChI=1SC21H15NO4c1213111216(15843714(13)15)19(22(24)25)20179561018(17)21(23)2620h312H2H21H3b2019
MFCD00183002
ZINC000001829897
ZINC01829897
ZINC1829897

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Available files

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