Vitas-M small molecule compound

1-[(2Z)-5-(4-butoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-chlorophenyl)urea

Catalog ID
STK617137
SMILES CCCCOc1ccc(cc1)c1n[nH]/c(=N/C(=O)Nc2ccc(cc2)Cl)/s1

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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 C19H19ClN4O2S MW 402.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN4O2S/c1-2-3-12-26-16-10-4-13(5-11-16)17-23-24-19(27-17)22-18(25)21-15-8-6-14(20)7-9-15/h4-11H,2-3,12H2,1H3,(H2,21,22,24,25)
InChIKey
DKFXWGRPUSMABX-UHFFFAOYSA-N
Synonyms
500195-47-1
500195471
CCCCOc1ccc(cc1)c1n(nH)c(=NC(=O)Nc2ccc(cc2)Cl)s1
MFCD08737066
ZINC000008769992

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Available files

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