Vitas-M small molecule compound

1-[(2Z)-5-{[2-(butan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-chlorophenyl)urea

Catalog ID
STK846117
SMILES CCC(c1ccccc1OCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)Cl)/s1)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 C20H21ClN4O2S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2S/c1-3-13(2)16-6-4-5-7-17(16)27-12-18-24-25-20(28-18)23-19(26)22-15-10-8-14(21)9-11-15/h4-11,13H,3,12H2,1-2H3,(H2,22,23,25,26)
InChIKey
KCYKLNHRIZPQJF-UHFFFAOYSA-N
Synonyms
426235-31-6
426235316
CCC(c1ccccc1OCc1n(nH)c(=NC(=O)Nc2ccc(cc2)Cl)s1)C
MFCD03794291
ZINC000001293887
ZINC000001293889

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Available files

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