Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK262176
SMILES COCCCN/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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-27-13-7-12-22-14-16-19(15-8-3-2-4-9-15)24-25(20(16)26)21-23-17-10-5-6-11-18(17)28-21/h2-6,8-11,14,22H,7,12-13H2,1H3/b16-14+InChIKey
OKDNVFKVGHXGBT-JQIJEIRASA-NSynonyms
(4E)2(13benzothiazol2yl)4(((3methoxypropyl)amino)methylidene)5phenyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((3METHOXYPROPYLAMINO)METHYLIDENE)5PHENYLPYRAZOL3ONE
4((1E)5METHOXY2AZAPENT1ENYL)1BENZOTHIAZOL2YL3PHENYL3PYRAZOLIN5ONE
COCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1
COCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4
InChI=1SC21H20N4O2Sc1271371222141619(158324915)2425(20(16)26)21231710561118(17)2821h268111422H71213H21H3b1614+
MFCD01465969
ZINC000100375754
ZINC100375754
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