Vitas-M small molecule compound

ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-propyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK538413
SMILES CCOC(=O)C1=C(CCC)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)C)C

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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 C28H30ClN3O3S MW 524.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O3S/c1-5-9-23-26(28(34)35-6-2)25(20-10-7-8-11-22(20)29)21(15-30)27(32-23)36-16-24(33)31-19-13-12-17(3)18(4)14-19/h7-8,10-14,25,32H,5-6,9,16H2,1-4H3,(H,31,33)
InChIKey
HDWRJSJJDBZROA-UHFFFAOYSA-N
Synonyms
369394-73-0
369394730
CCCC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2)C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCC
ethyl4(2chlorophenyl)5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)2propyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6((2((34dimethylphenyl)amino)2oxoethyl)thio)2propyl14dihydropyridine3carboxylate
ETHYL4(2CHLOROPHENYL)5CYANO6(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL2PROPYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC28H30ClN3O3Sc1592326(28(34)3562)25(2010781122(20)29)21(1530)27(3223)361624(33)3119131217(3)18(4)1419h7810142532H56916H214H3(H3133)
MFCD03000208
ZINC000020028893
ZINC000020028895

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.