Vitas-M small molecule compound

(2E)-N-(4-acetylphenyl)-2-cyano-3-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)prop-2-enamide

Catalog ID
STK472869
SMILES COc1cccc(c1OC/C=C/c1ccccc1)/C=C(/C(=O)Nc1ccc(cc1)C(=O)C)\C#N

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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 C28H24N2O4 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O4/c1-20(31)22-13-15-25(16-14-22)30-28(32)24(19-29)18-23-11-6-12-26(33-2)27(23)34-17-7-10-21-8-4-3-5-9-21/h3-16,18H,17H2,1-2H3,(H,30,32)/b10-7+,24-18+
InChIKey
BRQAWQKGJREOJZ-QSCRVUTISA-N
Synonyms

(2E)3(2((2E)3PHENYLPROP2ENYLOXY)3METHOXYPHENYL)N(4ACETYLPHENYL)2CYANOPROP2ENAMIDE
(2E)N(4acetylphenyl)2cyano3(3methoxy2(((2E)3phenylprop2en1yl)oxy)phenyl)prop2enamide
(E)N(4acetylphenyl)2cyano3(3methoxy2((E)3phenylprop2enoxy)phenyl)prop2enamide
CC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C(=CC=C2)OC)OCC=CC3=CC=CC=C3)C#N
COc1cccc(c1OCC=Cc1ccccc1)C=C(C(=O)Nc1ccc(cc1)C(=O)C)C#N
InChI=1SC28H24N2O4c120(31)22131525(161422)3028(32)24(1929)18231161226(332)27(23)3417710218435921h31618H17H212H3(H3032)b107+2418+
MFCD07089552
ZINC000020310758
ZINC20310758

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Available files

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