Vitas-M small molecule compound
4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Catalog ID
STK528750
SMILES N#CC1=C(SCC(=O)c2ccccc2)NC(=O)C(C21CCCCC2)C#N
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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 C20H19N3O2S MW 365.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O2S/c21-11-15-18(25)23-19(16(12-22)20(15)9-5-2-6-10-20)26-13-17(24)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H,23,25)InChIKey
JQJFXUAQVJYCIW-UHFFFAOYSA-NSynonyms
369608-87-72oxo4phenacylsulfanyl3azaspiro(55)undec4ene15dicarbonitrile
4oxo2((2oxo2phenylethyl)sulfanyl)3azaspiro(55)undec1ene15dicarbonitrile
4oxo2((2oxo2phenylethyl)thio)3azaspiro(55)undec1ene15dicarbonitrile
C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C#N
InChI=1SC20H19N3O2Sc21111518(25)2319(16(1222)20(15)95261020)261317(24)147314814h1347815H25691013H2(H2325)
MFCD00366131
ZINC000008994878
ZINC000008996119
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