Vitas-M small molecule compound

(5E)-3-butyl-5-[(1,5-dimethyl-1H-pyrazol-3-yl)methylidene]-2-thioxoimidazolidin-4-one

Catalog ID
STL393545
SMILES CCCCN1C(=S)N/C(=C/c2nn(c(c2)C)C)/C1=O

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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 C13H18N4OS MW 278.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4OS/c1-4-5-6-17-12(18)11(14-13(17)19)8-10-7-9(2)16(3)15-10/h7-8H,4-6H2,1-3H3,(H,14,19)/b11-8+
InChIKey
WHKRCMHIUGQKHD-DHZHZOJOSA-N
Synonyms
1005556-44-4
(5E)3butyl5((15dimethyl1Hpyrazol3yl)methylidene)2thioxoimidazolidin4one
1005556444
CCCCN1C(=S)NC(=Cc2nn(c(c2)C)C)C1=O
MFCD04048730
ZINC000101618935

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Available files

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