Vitas-M small molecule compound
methyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK725774
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SCC(=O)OCc1ccccc1
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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 C23H19N3O7S MW 481.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O7S/c1-32-23(29)20-19(15-9-5-6-10-17(15)26(30)31)16(11-24)22(25-21(20)28)34-13-18(27)33-12-14-7-3-2-4-8-14/h2-10,19-20H,12-13H2,1H3,(H,25,28)InChIKey
UGJUYLLUOAPBPN-UHFFFAOYSA-NSynonyms
COC(=O)C1C(=O)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SCC(=O)OCc1ccccc1
COC(=O)C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC23H19N3O7Sc13223(29)2019(159561017(15)26(30)31)16(1124)22(2521(20)28)341318(27)3312147324814h2101920H1213H21H3(H2528)
METHYL5CYANO4(2NITROPHENYL)2OXO6(2OXO2PHENYLMETHOXYETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
methyl6((2(benzyloxy)2oxoethyl)sulfanyl)5cyano4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((2(benzyloxy)2oxoethyl)thio)5cyano4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
MFCD01461540
ZINC000009110059
ZINC000016972608
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