Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK741702
SMILES CCCCCCCCN/C=C/1\C(=NN(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/h7-11,13-16,18,26H,2-6,12,17H2,1H3/b20-18+InChIKey
SXWWQCAJLZCQPW-CZIZESTLSA-NSynonyms
(4E)2(13benzothiazol2yl)4((octylamino)methylidene)5phenyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((OCTYLAMINO)METHYLIDENE)5PHENYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4((octylamino)methylene)3phenyl1Hpyrazol5(4H)one
2(13BENZOTHIAZOL2YL)4((OCTYLAMINO)METHYLENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
CCCCCCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1
CCCCCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4
InChI=1SC25H28N4OSc123456121726182023(19138791419)2829(24(20)30)2527211510111622(21)3125h71113161826H261217H21H3b2018+
MFCD01243966
ZINC000100701490
ZINC100701490
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