Vitas-M small molecule compound
(2E)-3-[2-(4-ethylpiperazin-1-yl)-5-nitrophenyl]-2-(4-hydroxyquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STL049587
SMILES CCN1CCN(CC1)c1ccc(cc1/C=C(/c1nc(O)c2c(n1)cccc2)\C#N)[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 C23H22N6O3 MW 430.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O3/c1-2-27-9-11-28(12-10-27)21-8-7-18(29(31)32)14-16(21)13-17(15-24)22-25-20-6-4-3-5-19(20)23(30)26-22/h3-8,13-14H,2,9-12H2,1H3,(H,25,26,30)/b17-13+InChIKey
CFIOXJWVNRYZKQ-GHRIWEEISA-NSynonyms
892618-13-2(2E)3(2(4ethylpiperazin1yl)5nitrophenyl)2(4hydroxyquinazolin2yl)prop2enenitrile
(E)3(2(4ETHYLPIPERAZIN1YL)5NITROPHENYL)2(4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
892618132
CCN1CCN(CC1)c1ccc(cc1C=C(c1nc(O)c2c(n1)cccc2)C#N)(N+)(=O)(O)
CCN1CCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3
InChI=1SC23H22N6O3c122791128(121027)218718(29(31)32)1416(21)1317(1524)222520643519(20)23(30)2622h381314H2912H21H3(H252630)b1713+
MFCD18192640
ZINC000020518944
ZINC20518944
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