Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK881417
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)c1ccccc1)/c1nc2c(s1)cccc2
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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 C29H24N6OS MW 504.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N6OS/c1-20-8-7-13-35-26(20)32-27(34-16-14-33(15-17-34)22-9-3-2-4-10-22)23(29(35)36)18-21(19-30)28-31-24-11-5-6-12-25(24)37-28/h2-13,18H,14-17H2,1H3/b21-18+InChIKey
UYKIMFADZUEGGX-DYTRJAOYSA-NSynonyms
799769-50-9(2E)2(13benzothiazol2yl)3(9methyl4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(9METHYL4OXO2(4PHENYLPIPERAZIN1YL)PYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(9methyl4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)acrylonitrile
799769509
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)N5CCN(CC5)C6=CC=CC=C6
InChI=1SC29H24N6OSc12087133526(20)3227(34161433(151734)2293241022)23(29(35)36)1821(1930)28312411561225(24)3728h21318H1417H21H3b2118+
MFCD03671156
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000009075486
ZINC9075486
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