Vitas-M small molecule compound
ethyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826746
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)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(22-15-9-10-16-24(22)31)23(17-32)29(34-28(27)21-13-7-4-8-14-21)38-19-25(35)33-18-20-11-5-3-6-12-20/h3-16,26,34H,2,18-19H2,1H3,(H,33,35)InChIKey
IQMCMXYTYIROPL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4
ethyl6((2(benzylamino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ETHYL6(2(BENZYLAMINO)2OXOETHYL)SULFANYL4(2CHLOROPHENYL)5CYANO2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC30H26ClN3O3Sc123730(36)2726(22159101624(22)31)23(1732)29(3428(27)21137481421)381925(35)331820115361220h3162634H21819H21H3(H3335)
MFCD05033556
ZINC000101305151
ZINC000101305153
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