Vitas-M small molecule compound

5,5-dimethyl-2-({[2-(phenylsulfanyl)phenyl]amino}methylidene)cyclohexane-1,3-dione

Catalog ID
STK868478
SMILES O=C1CC(C)(C)CC(=O)C1=CNc1ccccc1Sc1ccccc1

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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 C21H21NO2S MW 351.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO2S/c1-21(2)12-18(23)16(19(24)13-21)14-22-17-10-6-7-11-20(17)25-15-8-4-3-5-9-15/h3-11,14,22H,12-13H2,1-2H3
InChIKey
JWMFIRLWRGAKPF-UHFFFAOYSA-N
Synonyms

55dimethyl2(((2(phenylsulfanyl)phenyl)amino)methylidene)cyclohexane13dione
55DIMETHYL2(((2(PHENYLTHIO)PHENYL)AMINO)METHYLENE)13CYCLOHEXANEDIONE
55dimethyl2(((2(phenylthio)phenyl)amino)methylene)cyclohexane13dione
55DIMETHYL2(((2PHENYLSULFANYLPHENYL)AMINO)METHYLIDENE)CYCLOHEXANE13DIONE
55DIMETHYL2((2(PHENYLTHIO)ANILINO)METHYLENE)CYCLOHEXANE13QUINONE
55DIMETHYL2((2(PHENYLTHIO)ANILINO)METHYLIDENE)CYCLOHEXANE13DIONE
55DIMETHYL2((2PHENYLSULFANYLANILINO)METHYLIDENE)CYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C1)C
InChI=1SC21H21NO2Sc121(2)1218(23)16(19(24)1321)14221710671120(17)25158435915h3111422H1213H212H3
MFCD02375587
ZINC000100488944
ZINC100488944

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Available files

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