Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK705482
SMILES N#C/C(=C\c1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)/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 C27H20N4O2S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O2S/c1-16-11-17(2)13-20(12-16)33-25-21(27(32)31-10-6-7-18(3)24(31)30-25)14-19(15-28)26-29-22-8-4-5-9-23(22)34-26/h4-14H,1-3H3/b19-14+InChIKey
LXCGLXYXEGTQJC-XMHGGMMESA-NSynonyms
620537-29-3(2E)2(13benzothiazol2yl)3(2(35dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(35DIMETHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(35dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620537293
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)OC5=CC(=CC(=C5)C)C
InChI=1SC27H20N4O2Sc1161117(2)1320(1216)332521(27(32)31106718(3)24(31)3025)1419(1528)262922845923(22)3426h414H13H3b1914+
MFCD04184696
N#CC(=Cc1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)c1nc2c(s1)cccc2
ZINC000008590274
ZINC8590274
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