Vitas-M small molecule compound
methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK542700
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)CC)C#N)SCc1ccccc1
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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 C23H22N2O3S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S/c1-3-15-9-11-17(12-10-15)19-18(13-24)22(25-21(26)20(19)23(27)28-2)29-14-16-7-5-4-6-8-16/h4-12,19-20H,3,14H2,1-2H3,(H,25,26)InChIKey
LQDZWGWJMGCRMI-UHFFFAOYSA-NSynonyms
361478-38-8361478388
CCC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC
InChI=1SC23H22N2O3Sc131591117(121015)1918(1324)22(2521(26)20(19)23(27)282)2914167546816h4121920H314H212H3(H2526)
methyl6(benzylsulfanyl)5cyano4(4ethylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6(benzylthio)5cyano4(4ethylphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6BENZYLSULFANYL5CYANO4(4ETHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03293461
ZINC000009087360
ZINC000016993925
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