Vitas-M small molecule compound

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

Catalog ID
STL043721
SMILES CCCc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)Nc2ccccc2OC)/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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-3-6-14-9-11-15(12-10-14)27-13-18-23-24-20(28-18)22-19(25)21-16-7-4-5-8-17(16)26-2/h4-5,7-12H,3,6,13H2,1-2H3,(H2,21,22,24,25)
InChIKey
DNALJFXBZKZYDE-UHFFFAOYSA-N
Synonyms
426249-76-5
426249765
CCCc1ccc(cc1)OCc1n(nH)c(=NC(=O)Nc2ccccc2OC)s1
MFCD03818481
ZINC000001261115

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Available files

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