Vitas-M small molecule compound
ethyl 5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL332675
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC(=O)NC12CC3CC(C2)CC(C1)C3
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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 C30H35N3O5S MW 549.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O5S/c1-4-38-29(36)25-17(2)32-27(23(15-31)26(25)21-5-7-22(8-6-21)28(35)37-3)39-16-24(34)33-30-12-18-9-19(13-30)11-20(10-18)14-30/h5-8,18-20,26,32H,4,9-14,16H2,1-3H3,(H,33,34)InChIKey
YQHRLKAOJHBMTC-UHFFFAOYSA-NSynonyms
354555-11-6354555116
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C
ethyl5cyano4(4(methoxycarbonyl)phenyl)2methyl6((2oxo2(tricyclo(3311~37~)dec1ylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
ethyl6((2((1s3s)adamantan1ylamino)2oxoethyl)thio)5cyano4(4(methoxycarbonyl)phenyl)2methyl14dihydropyridine3carboxylate
ETHYL6((2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL)5CYANO4(4(METHOXYCARBONYL)PHENYL)2METHYL14DIHYDRO3PYRIDINECARBOXYLATE
ETHYL6(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL5CYANO4(4METHOXYCARBONYLPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC30H35N3O5Sc143829(36)2517(2)3227(23(1531)26(25)215722(8621)28(35)373)391624(34)33301218919(1330)1120(1018)1430h5818202632H491416H213H3(H3334)
METHYL4(2((NADAMANTANYLCARBAMOYL)METHYLTHIO)3CYANO5(ETHOXYCARBONYL)6METHYL414DIHYDROPYRIDYL)BENZOATE
ZINC000097940251
ZINC000097940252
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