Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STL240076
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2)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 C28H22N6OS MW 490.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6OS/c29-19-20(27-30-23-10-4-5-11-24(23)36-27)18-22-26(31-25-12-6-7-13-34(25)28(22)35)33-16-14-32(15-17-33)21-8-2-1-3-9-21/h1-13,18H,14-17H2/b20-18+InChIKey
HDCUKAJODJOPJY-CZIZESTLSA-NSynonyms
796880-70-1(2E)2(13benzothiazol2yl)3(4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(4OXO2(4PHENYLPIPERAZIN1YL)PYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(4oxo2(4phenylpiperazin1yl)4Hpyrido(12a)pyrimidin3yl)acrylonitrile
796880701
C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C(C#N)C5=NC6=CC=CC=C6S5
InChI=1SC28H22N6OSc291920(27302310451124(23)3627)182226(312512671334(25)28(22)35)33161432(151733)218213921h11318H1417H2b2018+
MFCD03670280
N#CC(=Cc1c(nc2n(c1=O)cccc2)N1CCN(CC1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000009075353
ZINC9075353
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