Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-ethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK819062
SMILES CCc1ccc(cc1)Oc1nc2ccccn2c(=O)c1/C=C(/c1nc2c(s1)cccc2)\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 C26H18N4O2S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O2S/c1-2-17-10-12-19(13-11-17)32-24-20(26(31)30-14-6-5-9-23(30)29-24)15-18(16-27)25-28-21-7-3-4-8-22(21)33-25/h3-15H,2H2,1H3/b18-15+InChIKey
CRKBJZIMHXVMGW-OBGWFSINSA-NSynonyms
620106-90-3(2E)2(13benzothiazol2yl)3(2(4ethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4ETHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4ethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620106903
CCC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C4=NC5=CC=CC=C5S4
CCc1ccc(cc1)Oc1nc2ccccn2c(=O)c1C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC26H18N4O2Sc1217101219(131117)322420(26(31)301465923(30)2924)1518(1627)252821734822(21)3325h315H2H21H3b1815+
MFCD04448193
ZINC000013806746
ZINC13806746
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