Vitas-M small molecule compound
ethyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK887409
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1nccs1
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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 C22H22N4O5S2 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S2/c1-3-30-15-8-6-5-7-13(15)17-14(11-23)20(26-19(28)18(17)21(29)31-4-2)33-12-16(27)25-22-24-9-10-32-22/h5-10,17-18H,3-4,12H2,1-2H3,(H,26,28)(H,24,25,27)InChIKey
JITGLFMBEDAXOO-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=NC=CS3)C(=O)OCC
ethyl5cyano4(2ethoxyphenyl)2oxo6((2oxo2(13thiazol2ylamino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
ETHYL5CYANO4(2ETHOXYPHENYL)2OXO6(2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC22H22N4O5S2c133015865713(15)1714(1123)20(2619(28)18(17)21(29)3142)331216(27)2522249103222h5101718H3412H212H3(H2628)(H242527)
MFCD18172048
ZINC000004078190
ZINC000004078198
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