Vitas-M small molecule compound

(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-nitrobenzoate

Catalog ID
STK924351
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)[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 C24H17NO8 MW 447.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17NO8/c1-30-19-5-3-4-15(23(19)31-2)12-21-22(26)18-11-10-17(13-20(18)33-21)32-24(27)14-6-8-16(9-7-14)25(28)29/h3-13H,1-2H3/b21-12-
InChIKey
WYNUHYUWRGLGPP-MTJSOVHGSA-N
Synonyms
622366-19-2
((2Z)2((23DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)4NITROBENZOATE
(2Z)2(23dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl4nitrobenzoate
(Z)2(23dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl4nitrobenzoate
2((23DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL4NITROBENZOATE
622366192
COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1c(cccc1OC)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H17NO8c1301953415(23(19)312)122122(26)18111017(1320(18)3321)3224(27)146816(9714)25(28)29h313H12H3b2112
MFCD04195517
ZINC000001898498
ZINC01898498
ZINC1898498

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Available files

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