Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK800357
SMILES COc1ccc(cc1)Oc1nc2c(C)cccn2c(=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 C26H18N4O3S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O3S/c1-16-6-5-13-30-23(16)29-24(33-19-11-9-18(32-2)10-12-19)20(26(30)31)14-17(15-27)25-28-21-7-3-4-8-22(21)34-25/h3-14H,1-2H3/b17-14+InChIKey
BCHWADCOWIKLGB-SAPNQHFASA-NSynonyms
620112-15-4(2E)2(13benzothiazol2yl)3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4METHOXYPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620112154
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)OC5=CC=C(C=C5)OC
COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC26H18N4O3Sc11665133023(16)2924(331911918(322)101219)20(26(30)31)1417(1527)252821734822(21)3425h314H12H3b1714+
MFCD04196829
ZINC000009210359
ZINC9210359
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