Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868242
SMILES O=C1N(N=C(/C/1=C/NCCCn1cncc1)c1ccccc1)c1nc2c(s1)cccc2
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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 C23H20N6OS MW 428.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6OS/c30-22-18(15-24-11-6-13-28-14-12-25-16-28)21(17-7-2-1-3-8-17)27-29(22)23-26-19-9-4-5-10-20(19)31-23/h1-5,7-10,12,14-16,24H,6,11,13H2/b18-15-InChIKey
MWDUJURVFGJHOC-SDXDJHTJSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(((3(1Himidazol1yl)propyl)amino)methylidene)5phenyl24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4((3IMIDAZOL1YLPROPYLAMINO)METHYLIDENE)5PHENYLPYRAZOL3ONE
(E)4(((3(1Himidazol1yl)propyl)amino)methylene)1(benzo(d)thiazol2yl)3phenyl1Hpyrazol5(4H)one
C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCN3C=CN=C3)C4=NC5=CC=CC=C5S4
InChI=1SC23H20N6OSc302218(152411613281412251628)21(177213817)2729(22)2326199451020(19)3123h1571012141624H61113H2b1815
MFCD01826656
O=C1N(N=C(C1=CNCCCn1cncc1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000017920672
ZINC17920672
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