Vitas-M small molecule compound
2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl 4-nitrobenzoate
Catalog ID
STK888250
SMILES COc1ccc(cc1OC)/C=C/C(=O)c1cc(C)ccc1OC(=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 C25H21NO7 MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO7/c1-16-4-12-22(33-25(28)18-7-9-19(10-8-18)26(29)30)20(14-16)21(27)11-5-17-6-13-23(31-2)24(15-17)32-3/h4-15H,1-3H3/b11-5+InChIKey
KMLLDMKCWPJFHI-VZUCSPMQSA-NSynonyms
433312-70-0(2((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)4METHYLPHENYL)4NITROBENZOATE
(E)2(3(34dimethoxyphenyl)acryloyl)4methylphenyl4nitrobenzoate
2((2E)3(34dimethoxyphenyl)prop2enoyl)4methylphenyl4nitrobenzoate
433312700
CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C=CC3=CC(=C(C=C3)OC)OC
COc1ccc(cc1OC)C=CC(=O)c1cc(C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H21NO7c11641222(3325(28)187919(10818)26(29)30)20(1416)21(27)1151761323(312)24(1517)323h415H13H3b115+
MFCD03292751
ZINC000009271945
ZINC09271945
ZINC9271945
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