Vitas-M small molecule compound
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Catalog ID
STK886068
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)C)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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-14-5-7-15(8-6-14)18(25)13-27-20-17(12-23)21(9-3-2-4-10-21)16(11-22)19(26)24-20/h5-8,16H,2-4,9-10,13H2,1H3,(H,24,26)InChIKey
UOZOKHFQMPUNMF-UHFFFAOYSA-NSynonyms
2((2(4methylphenyl)2oxoethyl)sulfanyl)4oxo3azaspiro(55)undec1ene15dicarbonitrile
4(2(4methylphenyl)2oxoethyl)sulfanyl2oxo3azaspiro(55)undec4ene15dicarbonitrile
CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCCC3)C(C(=O)N2)C#N)C#N
InChI=1SC21H21N3O2Sc1145715(8614)18(25)13272017(1223)21(93241021)16(1122)19(26)2420h5816H2491013H21H3(H2426)
MFCD18172012
ZINC000035682032
ZINC000035682033
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