Vitas-M small molecule compound

2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-3-[(4-methylphenyl)carbonyl]-1-benzofuran-5,6-dicarbonitrile

Catalog ID
STL435603
SMILES N#Cc1cc2c(cc1C#N)oc(c2C(=O)c1ccc(cc1)C)/C=C/c1ccc(cc1)N(C)C

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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 C28H21N3O2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2/c1-18-4-9-20(10-5-18)28(32)27-24-14-21(16-29)22(17-30)15-26(24)33-25(27)13-8-19-6-11-23(12-7-19)31(2)3/h4-15H,1-3H3/b13-8+
InChIKey
XOKRZCINIOKPRL-MDWZMJQESA-N
Synonyms

2((E)2(4(dimethylamino)phenyl)ethenyl)3((4methylphenyl)carbonyl)1benzofuran56dicarbonitrile
2((E)2(4(dimethylamino)phenyl)ethenyl)3(4methylbenzoyl)1benzofuran56dicarbonitrile
CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C(=C3)C#N)C#N)C=CC4=CC=C(C=C4)N(C)C
InChI=1SC28H21N3O2c1184920(10518)28(32)27241421(1629)22(1730)1526(24)3325(27)1381961123(12719)31(2)3h415H13H3b138+
MFCD25975680
N#Cc1cc2c(cc1C#N)oc(c2C(=O)c1ccc(cc1)C)C=Cc1ccc(cc1)N(C)C
ZINC000066089264
ZINC66089264

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Available files

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