Vitas-M small molecule compound

1-(4-methoxyphenyl)-3-(3-methylbutyl)thiourea

Catalog ID
STK139060
SMILES COc1ccc(cc1)NC(=S)NCCC(C)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 C13H20N2OS MW 252.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N2OS/c1-10(2)8-9-14-13(17)15-11-4-6-12(16-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,17)
InChIKey
KLHUOPNCFTYOOT-UHFFFAOYSA-N
Synonyms

1(4METHOXYPHENYL)3(3METHYLBUTYL)THIOUREA
CC(C)CCNC(=S)NC1=CC=C(C=C1)OC
InChI=1SC13H20N2OSc110(2)891413(17)15114612(163)7511h4710H89H213H3(H2141517)
MFCD03145943
ZINC000000306336
ZINC00306336
ZINC306336

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Available files

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