Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(E)-(cyclooctylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL170478
SMILES O=c1c(/C=N/C2CCCCCCC2)c([nH]n1c1nc2c(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 C25H26N4OS MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4OS/c30-24-20(17-26-19-13-7-2-1-3-8-14-19)23(18-11-5-4-6-12-18)28-29(24)25-27-21-15-9-10-16-22(21)31-25/h4-6,9-12,15-17,19,28H,1-3,7-8,13-14H2/b26-17+InChIKey
LCOQGMQPGYDEEH-YZSQISJMSA-NSynonyms
353470-55-02(13benzothiazol2yl)4((E)(cyclooctylimino)methyl)5phenyl12dihydro3Hpyrazol3one
353470550
MFCD01210598
O=c1c(C=NC2CCCCCCC2)c((nH)n1c1nc2c(s1)cccc2)c1ccccc1
ZINC000102261300
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