Vitas-M small molecule compound

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

Catalog ID
STK601561
SMILES COc1cccc(c1)NC(=O)/N=c\1/[nH]nc(s1)Cc1ccccc1

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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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c1-23-14-9-5-8-13(11-14)18-16(22)19-17-21-20-15(24-17)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,18,19,21,22)
InChIKey
ZFLRJFYKYJCPMF-UHFFFAOYSA-N
Synonyms
496773-76-3
COc1cccc(c1)NC(=O)N=c1(nH)nc(s1)Cc1ccccc1
MFCD08733198
ZINC000008739102

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Available files

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