Vitas-M small molecule compound
ethyl 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886000
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)c1ccc(cc1)Br)c1ccccc1
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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 C29H22BrClN2O3S MW 593.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrClN2O3S/c1-2-36-29(35)26-25(21-10-6-7-11-23(21)31)22(16-32)28(33-27(26)19-8-4-3-5-9-19)37-17-24(34)18-12-14-20(30)15-13-18/h3-15,25,33H,2,17H2,1H3InChIKey
XCKDKAFXNLDFDF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
ethyl6((2(4bromophenyl)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ethyl6(2(4bromophenyl)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
InChI=1SC29H22BrClN2O3Sc123629(35)2625(2110671123(21)31)22(1632)28(3327(26)198435919)371724(34)18121420(30)151318h3152533H217H21H3
MFCD10086536
ZINC000102807846
ZINC000102807848
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