Vitas-M small molecule compound
ethyl 1-(3-{(E)-2-cyano-2-[(4-methylphenyl)sulfonyl]ethenyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
Catalog ID
STK706771
SMILES CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/S(=O)(=O)c1ccc(cc1)C)\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 C27H28N4O5S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5S/c1-4-36-27(33)20-8-6-13-30(17-20)25-23(26(32)31-14-5-7-19(3)24(31)29-25)15-22(16-28)37(34,35)21-11-9-18(2)10-12-21/h5,7,9-12,14-15,20H,4,6,8,13,17H2,1-3H3/b22-15+InChIKey
YAQVERBIMMRPTL-PXLXIMEGSA-NSynonyms
799777-09-6(E)ethyl1(3(2cyano2tosylvinyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
799777096
CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(S(=O)(=O)c1ccc(cc1)C)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=C(C=C4)C
ETHYL1(3((1E)2CYANO2((4METHYLBENZENE)SULFONYL)ETH1EN1YL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
ethyl1(3((E)2cyano2((4methylphenyl)sulfonyl)ethenyl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine3carboxylate
ETHYL1(3((E)2CYANO2(4METHYLPHENYL)SULFONYLETHENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE3CARBOXYLATE
InChI=1SC27H28N4O5Sc143627(33)20861330(1720)2523(26(32)31145719(3)24(31)2925)1522(1628)37(3435)2111918(2)101221h57912141520H4681317H213H3b2215+
MFCD03673067
ZINC000008769562
ZINC000008769567
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