Vitas-M small molecule compound
(2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate
Catalog ID
STK852068
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[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 C25H19NO9 MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19NO9/c1-31-19-10-7-14(23(32-2)24(19)33-3)12-21-22(27)18-9-8-17(13-20(18)35-21)34-25(28)15-5-4-6-16(11-15)26(29)30/h4-13H,1-3H3/b21-12-InChIKey
MDFYJMHRBFNZPH-MTJSOVHGSA-NSynonyms
622366-44-3((2Z)3OXO2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)3NITROBENZOATE
(2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl3nitrobenzoate
(Z)3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl3nitrobenzoate
3OXO2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YL3NITROBENZOATE
622366443
COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC)OC
COc1c(ccc(c1OC)OC)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H19NO9c1311910714(23(322)24(19)333)122122(27)189817(1320(18)3521)3425(28)1554616(1115)26(29)30h413H13H3b2112
MFCD04196783
ZINC000002436053
ZINC02436053
ZINC2436053
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