Vitas-M small molecule compound
ethyl 5-cyano-4-(2-ethoxyphenyl)-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK886654
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1ccccc1CC
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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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-4-17-11-7-9-13-20(17)29-22(31)16-36-26-19(15-28)23(18-12-8-10-14-21(18)34-5-2)24(25(32)30-26)27(33)35-6-3/h7-14,23-24H,4-6,16H2,1-3H3,(H,29,31)(H,30,32)InChIKey
LNDVTZQSBQJWSB-UHFFFAOYSA-NSynonyms
370849-40-4370849404
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OCC)C3=CC=CC=C3OCC)C#N
ethyl5cyano4(2ethoxyphenyl)6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
ethyl5cyano4(2ethoxyphenyl)6((2((2ethylphenyl)amino)2oxoethyl)thio)2oxo1234tetrahydropyridine3carboxylate
ETHYL5CYANO4(2ETHOXYPHENYL)6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC27H29N3O5Sc141711791320(17)2922(31)16362619(1528)23(18128101421(18)3452)24(25(32)3026)27(33)3563h7142324H4616H213H3(H2931)(H3032)
MFCD02999485
ZINC000002309893
ZINC000002309896
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