Vitas-M small molecule compound
ethyl 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STK881292
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-3-35-27(34)18-9-7-12-31(16-18)24-20(26(33)32-13-6-8-17(2)23(32)30-24)14-19(15-28)25-29-21-10-4-5-11-22(21)36-25/h4-6,8,10-11,13-14,18H,3,7,9,12,16H2,1-2H3/b19-14+InChIKey
WUJKBHUXPUXFDZ-XMHGGMMESA-NSynonyms
797799-96-3(E)ethyl1(3(2(benzo(d)thiazol2yl)2cyanovinyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
797799963
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(c1nc2c(s1)cccc2)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C4=NC5=CC=CC=C5S4
ethyl1(3((E)2(13benzothiazol2yl)2cyanoethenyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC27H25N5O3Sc133527(34)18971231(1618)2420(26(33)32136817(2)23(32)3024)1419(1528)25292110451122(21)3625h4681011131418H3791216H212H3b1914+
MFCD03668775
ZINC000009428126
ZINC000013647951
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.