Vitas-M small molecule compound

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

Catalog ID
STL323844
SMILES CC1CCC2(CC1)C(=C(SCC(=O)c1ccc(cc1)Cl)NC(=O)C2C#N)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 C21H20ClN3O2S MW 413.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O2S/c1-13-6-8-21(9-7-13)16(10-23)19(27)25-20(17(21)11-24)28-12-18(26)14-2-4-15(22)5-3-14/h2-5,13,16H,6-9,12H2,1H3,(H,25,27)
InChIKey
FXXUYEGZIHPHJA-UHFFFAOYSA-N
Synonyms
185414-70-4
185414704
2((2(4chlorophenyl)2oxoethyl)sulfanyl)9methyl4oxo3azaspiro(55)undec1ene15dicarbonitrile
2((2(4chlorophenyl)2oxoethyl)thio)9methyl4oxo3azaspiro(55)undec1ene15dicarbonitrile
4(2(4chlorophenyl)2oxoethyl)sulfanyl9methyl2oxo3azaspiro(55)undec4ene15dicarbonitrile
CC1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)C#N
InChI=1SC21H20ClN3O2Sc1136821(9713)16(1023)19(27)2520(17(21)1124)281218(26)142415(22)5314h251316H6912H21H3(H2527)
MFCD01090730
ZINC000005416699
ZINC000005416702

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Available files

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