Vitas-M small molecule compound

2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(1E)-N-propylethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK262125
SMILES CCC/N=C(/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1)\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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c1-3-13-22-14(2)18-19(15-9-5-4-6-10-15)24-25(20(18)26)21-23-16-11-7-8-12-17(16)27-21/h4-12,24H,3,13H2,1-2H3/b22-14+
InChIKey
KJZUNDGLSQXCFA-HYARGMPZSA-N
Synonyms

2(13benzothiazol2yl)5phenyl4((1E)Npropylethanimidoyl)12dihydro3Hpyrazol3one
CCCN=C(c1c((nH)n(c1=O)c1nc2c(s1)cccc2)c1ccccc1)C
MFCD01243993
ZINC000100424495

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Available files

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