Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK956917
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)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 C26H31N3O3S2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O3S2/c1-3-32-25(31)22-15(2)28-24(19(13-27)23(22)20-5-4-6-33-20)34-14-21(30)29-26-10-16-7-17(11-26)9-18(8-16)12-26/h4-6,16-18,23,28H,3,7-12,14H2,1-2H3,(H,29,30)InChIKey
IJXNMGMTPWAOIV-UHFFFAOYSA-NSynonyms
340807-70-7340807707
CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C
ethyl5cyano2methyl6((2oxo2(tricyclo(3311~37~)dec1ylamino)ethyl)sulfanyl)4(thiophen2yl)14dihydropyridine3carboxylate
ETHYL6((2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL)5CYANO2METHYL4(2THIENYL)14DIHYDRO3PYRIDINECARBOXYLATE
ETHYL6(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL5CYANO2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H31N3O3S2c133225(31)2215(2)2824(19(1327)23(22)205463320)341421(30)29261016717(1126)918(816)1226h4616182328H371214H212H3(H2930)
ZINC000019816583
ZINC000019816586
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