Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Catalog ID
STK705463
SMILES N#C/C(=C\c1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)/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 C25H15ClN4O2S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15ClN4O2S/c1-15-12-17(9-10-19(15)26)32-23-18(25(31)30-11-5-4-8-22(30)29-23)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+
InChIKey
PYPNNLRPHOOETD-DTQAZKPQSA-N
Synonyms
620108-18-1
(2E)2(13benzothiazol2yl)3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4CHLORO3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620108181
CC1=C(C=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C4=NC5=CC=CC=C5S4)Cl
InChI=1SC25H15ClN4O2Sc1151217(91019(15)26)322318(25(31)301154822(30)2923)1316(1427)242820623721(20)3324h213H1H3b1613+
MFCD04186061
N#CC(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)c1nc2c(s1)cccc2
ZINC000008590247
ZINC8590247

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Available files

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