Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Catalog ID
STK704879
SMILES CCc1ccc(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 C27H20N4O2S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O2S/c1-3-18-10-12-20(13-11-18)33-25-21(27(32)31-14-6-7-17(2)24(31)30-25)15-19(16-28)26-29-22-8-4-5-9-23(22)34-26/h4-15H,3H2,1-2H3/b19-15+
InChIKey
GPHHHPCQSXBUGS-XDJHFCHBSA-N
Synonyms
620113-10-2
(2E)2(13benzothiazol2yl)3(2(4ethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(2(4ETHYLPHENOXY)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(2(4ETHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4ethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620113102
CCC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C4=NC5=CC=CC=C5S4
CCc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC27H20N4O2Sc1318101220(131118)332521(27(32)31146717(2)24(31)3025)1519(1628)262922845923(22)3426h415H3H212H3b1915+
MFCD04188082
ZINC000008590264
ZINC8590264

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Available files

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