Vitas-M small molecule compound

4-methyl-2-[(2E)-3-(4-methylphenyl)prop-2-enoyl]phenyl 3-nitrobenzoate

Catalog ID
STK888244
SMILES Cc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)C)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 C24H19NO5 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19NO5/c1-16-6-9-18(10-7-16)11-12-22(26)21-14-17(2)8-13-23(21)30-24(27)19-4-3-5-20(15-19)25(28)29/h3-15H,1-2H3/b12-11+
InChIKey
AXSLVLKXOUZJEM-VAWYXSNFSA-N
Synonyms
433320-87-7
(4METHYL2((E)3(4METHYLPHENYL)PROP2ENOYL)PHENYL)3NITROBENZOATE
(E)4methyl2(3(ptolyl)acryloyl)phenyl3nitrobenzoate
2((2E)3(4METHYLPHENYL)PROP2ENOYL)4METHYLPHENYL3NITROBENZOATE
433320877
4methyl2((2E)3(4methylphenyl)prop2enoyl)phenyl3nitrobenzoate
CC1=CC=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)C)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
Cc1ccc(c(c1)C(=O)C=Cc1ccc(cc1)C)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC24H19NO5c1166918(10716)111222(26)211417(2)81323(21)3024(27)1943520(1519)25(28)29h315H12H3b1211+
MFCD03292044
ZINC000004279029
ZINC04279029
ZINC4279029

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Available files

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