Vitas-M small molecule compound
ethyl 5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK564663
SMILES CCOC(=O)C1C(=NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1c(C)cc(cc1C)C)O
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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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-6-35-21-11-9-8-10-19(21)23-20(14-29)27(31-26(33)24(23)28(34)36-7-2)37-15-22(32)30-25-17(4)12-16(3)13-18(25)5/h8-13,23-24H,6-7,15H2,1-5H3,(H,30,32)(H,31,33)InChIKey
OPYGTMMRIQONFH-UHFFFAOYSA-NSynonyms
370847-55-5CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3C)C)C)C(=O)OCC
ethyl5cyano4(2ethoxyphenyl)2hydroxy6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)34dihydropyridine3carboxylate
ETHYL5CYANO4(2ETHOXYPHENYL)2OXO6(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC28H31N3O5Sc16352111981019(21)2320(1429)27(3126(33)24(23)28(34)3672)371522(32)302517(4)1216(3)1318(25)5h8132324H6715H215H3(H3032)(H3133)
MFCD03817695
ZINC000002309828
ZINC000002309831
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