Vitas-M small molecule compound
(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]phenyl}prop-2-enenitrile
Catalog ID
STK287212
SMILES CCOc1cc(ccc1OCC(=O)N1CCCC1)/C=C(/c1[nH]c2c(n1)cc(c(c2)C)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 C26H28N4O3 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3/c1-4-32-24-14-19(7-8-23(24)33-16-25(31)30-9-5-6-10-30)13-20(15-27)26-28-21-11-17(2)18(3)12-22(21)29-26/h7-8,11-14H,4-6,9-10,16H2,1-3H3,(H,28,29)/b20-13+InChIKey
PYAVLCYUVLGXMU-DEDYPNTBSA-NSynonyms
(2E)2(56dimethyl1Hbenzimidazol2yl)3(3ethoxy4(2oxo2(pyrrolidin1yl)ethoxy)phenyl)prop2enenitrile
(E)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(3ETHOXY4(2OXO2PYRROLIDIN1YLETHOXY)PHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OCC(=O)N4CCCC4
CCOc1cc(ccc1OCC(=O)N1CCCC1)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC26H28N4O3c1432241419(7823(24)331625(31)309561030)1320(1527)2628211117(2)18(3)1222(21)2926h781114H4691016H213H3(H2829)b2013+
MFCD07157237
ZINC000009187443
ZINC09187443
ZINC9187443
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