Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-2-propyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538336
SMILES CCCC1=C(C(=O)OCC)C(C(=C(N1)SCC(=O)Nc1c(C)cc(cc1C)C)C#N)c1ccccc1Cl
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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 C29H32ClN3O3S MW 538.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClN3O3S/c1-6-10-23-26(29(35)36-7-2)25(20-11-8-9-12-22(20)30)21(15-31)28(32-23)37-16-24(34)33-27-18(4)13-17(3)14-19(27)5/h8-9,11-14,25,32H,6-7,10,16H2,1-5H3,(H,33,34)InChIKey
JKLIXBONWIPSCN-UHFFFAOYSA-NSynonyms
383895-12-3383895123
CCCC1=C(C(C(=C(N1)SCC(=O)NC2=C(C=C(C=C2C)C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCC
ethyl4(2chlorophenyl)5cyano6((2(mesitylamino)2oxoethyl)thio)2propyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)2propyl14dihydropyridine3carboxylate
ETHYL4(2CHLOROPHENYL)5CYANO6(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL2PROPYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC29H32ClN3O3Sc16102326(29(35)3672)25(2011891222(20)30)21(1531)28(3223)371624(34)332718(4)1317(3)1419(27)5h8911142532H671016H215H3(H3334)
MFCD03000710
ZINC000097951272
ZINC000097951273
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