Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STL238182
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)Cc1ccccc1)/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 C31H27N5OS MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5OS/c1-21-8-7-15-36-28(21)34-29(35-16-13-23(14-17-35)18-22-9-3-2-4-10-22)25(31(36)37)19-24(20-32)30-33-26-11-5-6-12-27(26)38-30/h2-12,15,19,23H,13-14,16-18H2,1H3/b24-19+InChIKey
PJCWOMNJTFLYRB-LYBHJNIJSA-NSynonyms
799769-90-7(2E)2(13benzothiazol2yl)3(2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
799769907
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)N5CCC(CC5)CC6=CC=CC=C6
InChI=1SC31H27N5OSc12187153628(21)3429(35161323(141735)182293241022)25(31(36)37)1924(2032)30332611561227(26)3830h212151923H13141618H21H3b2419+
MFCD03671289
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)Cc1ccccc1)c1nc2c(s1)cccc2
ZINC000009075506
ZINC9075506
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