Vitas-M small molecule compound

(2Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate

Catalog ID
STK588245
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-])OC

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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 C25H19NO9 MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19NO9/c1-31-19-13-22(33-3)21(32-2)10-15(19)11-23-24(27)18-8-7-17(12-20(18)35-23)34-25(28)14-5-4-6-16(9-14)26(29)30/h4-13H,1-3H3/b23-11-
InChIKey
UKULMCBCIMHWCR-KSEXSDGBSA-N
Synonyms
622366-28-3
((2Z)3OXO2((245TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)3NITROBENZOATE
(2Z)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6yl3nitrobenzoate
(Z)3oxo2(245trimethoxybenzylidene)23dihydrobenzofuran6yl3nitrobenzoate
3OXO2((245TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YL3NITROBENZOATE
622366283
COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC)OC
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O))OC
InChI=1SC25H19NO9c131191322(333)21(322)1015(19)112324(27)188717(1220(18)3523)3425(28)1454616(914)26(29)30h413H13H3b2311
MFCD04182229
ZINC000008970372
ZINC08970372
ZINC8970372

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.