Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538109
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1c(C)cccc1C
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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/c1-5-34-20-13-8-7-12-18(20)22-19(14-28)26(30-25(32)23(22)27(33)35-6-2)36-15-21(31)29-24-16(3)10-9-11-17(24)4/h7-13,22-23H,5-6,15H2,1-4H3,(H,29,31)(H,30,32)InChIKey
ZJJMOFVESMLUBK-UHFFFAOYSA-NSynonyms
370844-39-6370844396
CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=CC=C3C)C)C(=O)OCC
ethyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
ethyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)thio)4(2ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL5CYANO6(2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC27H29N3O5Sc15342013871218(20)2219(1428)26(3025(32)23(22)27(33)3562)361521(31)292416(3)1091117(24)4h7132223H5615H214H3(H2931)(H3032)
MFCD02999331
ZINC000009089550
ZINC000009334731
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