Vitas-M small molecule compound
(2Z)-3-[3-ethoxy-5-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)phenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201526
SMILES C#CCOc1c(CC=C)cc(cc1OCC)/C=C(\c1[nH]c2c(n1)cc(cc2)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 C25H23N3O2 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O2/c1-5-8-19-13-18(15-23(29-7-3)24(19)30-11-6-2)14-20(16-26)25-27-21-10-9-17(4)12-22(21)28-25/h2,5,9-10,12-15H,1,7-8,11H2,3-4H3,(H,27,28)/b20-14-InChIKey
NFHOOOIQFLTSLH-ZHZULCJRSA-NSynonyms
(2Z)3(3ETHOXY5(PROP2EN1YL)4(PROP2YN1YLOXY)PHENYL)2(5METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(3ETHOXY5PROP2ENYL4PROP2YNOXYPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
C#CCOc1c(CC=C)cc(cc1OCC)C=C(c1(nH)c2c(n1)cc(cc2)C)C#N
CCOC1=CC(=CC(=C1OCC#C)CC=C)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C
InChI=1SC25H23N3O2c158191318(1523(2973)24(19)301162)1420(1626)25272110917(4)1222(21)2825h259101215H17811H234H3(H2728)b2014
MFCD05997615
ZINC000004739793
ZINC04739793
ZINC4739793
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