Vitas-M small molecule compound

(2Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4-dimethoxybenzoate

Catalog ID
STK597021
SMILES COc1ccc(cc1OC)C(=O)Oc1ccc2c(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 C24H17NO8 MW 447.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17NO8/c1-30-19-10-5-15(12-21(19)31-2)24(27)32-17-8-9-18-20(13-17)33-22(23(18)26)11-14-3-6-16(7-4-14)25(28)29/h3-13H,1-2H3/b22-11-
InChIKey
JDCAJURBSVNGIG-JJFYIABZSA-N
Synonyms
622792-30-7
((2Z)2((4NITROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)34DIMETHOXYBENZOATE
(2Z)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6yl34dimethoxybenzoate
(Z)2(4nitrobenzylidene)3oxo23dihydrobenzofuran6yl34dimethoxybenzoate
2((4NITROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL34DIMETHOXYBENZOATE
622792307
COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))O3)OC
COc1ccc(cc1OC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O
InChI=1SC24H17NO8c1301910515(1221(19)312)24(27)3217891820(1317)3322(23(18)26)11143616(7414)25(28)29h313H12H3b2211
MFCD04157729
ZINC000009216011
ZINC09216011
ZINC9216011

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Available files

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