Vitas-M small molecule compound
ethyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886013
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)NCc1ccccc1)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 C30H26ClN3O3S MW 544.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O3S/c1-2-37-30(36)27-26(21-13-15-23(31)16-14-21)24(17-32)29(34-28(27)22-11-7-4-8-12-22)38-19-25(35)33-18-20-9-5-3-6-10-20/h3-16,26,34H,2,18-19H2,1H3,(H,33,35)InChIKey
KTAXQOIUNWTDSB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4
ethyl6((2(benzylamino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ethyl6(2(benzylamino)2oxoethyl)sulfanyl4(4chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
InChI=1SC30H26ClN3O3Sc123730(36)2726(21131523(31)161421)24(1732)29(3428(27)22117481222)381925(35)33182095361020h3162634H21819H21H3(H3335)
MFCD10086551
ZINC000101562635
ZINC000101562641
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