Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(E)-(octylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK956684
SMILES CCCCCCCC/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 C25H28N4OS MW 432.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4OS/c1-2-3-4-5-6-12-17-26-18-20-23(19-13-8-7-9-14-19)28-29(24(20)30)25-27-21-15-10-11-16-22(21)31-25/h7-11,13-16,18,28H,2-6,12,17H2,1H3/b26-18+InChIKey
BZMWYDKERIYUOH-NLRVBDNBSA-NSynonyms
353774-02-42(13benzothiazol2yl)4((E)(octylimino)methyl)5phenyl12dihydro3Hpyrazol3one
353774024
CCCCCCCCN=Cc1c((nH)n(c1=O)c1nc2c(s1)cccc2)c1ccccc1
MFCD01210553
ZINC000017918282
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