Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Catalog ID
STK527721
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Cl)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 C20H18ClN3O2S MW 399.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O2S/c21-14-6-4-13(5-7-14)17(25)12-27-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(26)24-19/h4-7,15H,1-3,8-9,12H2,(H,24,26)InChIKey
XXDHXNIIDPPSRK-UHFFFAOYSA-NSynonyms
185414-62-410(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL8OXO9AZASPIRO(55)UNDEC10ENE711DICARBONITRILE
185414624
2((2(4chlorophenyl)2oxoethyl)sulfanyl)4oxo3azaspiro(55)undec1ene15dicarbonitrile
2((2(4chlorophenyl)2oxoethyl)thio)4oxo3azaspiro(55)undec1ene15dicarbonitrile
4(2(4chlorophenyl)2oxoethyl)sulfanyl2oxo3azaspiro(55)undec4ene15dicarbonitrile
C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)C#N
InChI=1SC20H18ClN3O2Sc21146413(5714)17(25)12271916(1123)20(8213920)15(1022)18(26)2419h4715H138912H2(H2426)
MFCD00354957
ZINC000008973413
ZINC000017028776
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