Vitas-M small molecule compound
ethyl 1-{3-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Catalog ID
STK706772
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/S(=O)(=O)c1ccccc1)\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 C26H26N4O5S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5S/c1-3-35-26(32)19-10-8-13-29(17-19)24-22(25(31)30-14-7-9-18(2)23(30)28-24)15-21(16-27)36(33,34)20-11-5-4-6-12-20/h4-7,9,11-12,14-15,19H,3,8,10,13,17H2,1-2H3/b21-15+InChIKey
QPDHQTHFBIELFX-RCCKNPSSSA-NSynonyms
799771-85-0(E)ethyl1(3(2cyano2(phenylsulfonyl)vinyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
799771850
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(S(=O)(=O)c1ccccc1)C#N
CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)S(=O)(=O)C4=CC=CC=C4
ETHYL1(3((E)2(BENZENESULFONYL)2CYANOETHENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
ethyl1(3((E)2cyano2(phenylsulfonyl)ethenyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
InChI=1SC26H26N4O5Sc133526(32)191081329(1719)2422(25(31)30147918(2)23(30)2824)1521(1627)36(3334)20115461220h4791112141519H38101317H212H3b2115+
MFCD03672036
ZINC000008768323
ZINC000008768324
Check stock
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Check stock on Vitas-MAvailable files
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