Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-hydroxypropyl)imino]methyl}-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL171169
SMILES OCCC/N=C/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1
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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c25-12-6-11-21-13-15-18(14-7-2-1-3-8-14)23-24(19(15)26)20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10,13,23,25H,6,11-12H2/b21-13+InChIKey
BZUNBFKGDKCZLT-FYJGNVAPSA-NSynonyms
337474-84-7337474847
MFCD01210608
OCCCN=Cc1c((nH)n(c1=O)c1nc2c(s1)cccc2)c1ccccc1
ZINC000018123306
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