Vitas-M small molecule compound

1-butyl-3-(2,3-dimethylphenyl)thiourea

Catalog ID
STK180755
SMILES CCCCNC(=S)Nc1cccc(c1C)C

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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 C13H20N2S MW 236.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N2S/c1-4-5-9-14-13(16)15-12-8-6-7-10(2)11(12)3/h6-8H,4-5,9H2,1-3H3,(H2,14,15,16)
InChIKey
XXLUZHUNDNSKMI-UHFFFAOYSA-N
Synonyms
502599-50-0
((23DIMETHYLPHENYL)AMINO)(BUTYLAMINO)METHANE1THIONE
1BUTYL3(23DIMETHYLPHENYL)THIOUREA
502599500
CCCCNC(=S)NC1=CC=CC(=C1C)C
InChI=1SC13H20N2Sc14591413(16)151286710(2)11(12)3h68H459H213H3(H2141516)
MFCD05656668
ZINC000004705289
ZINC04705289
ZINC4705289

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.