Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK231882
SMILES COCCCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CCC)/C
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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 C19H24N4O2S MW 372.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O2S/c1-4-8-15-17(13(2)20-11-7-12-25-3)18(24)23(22-15)19-21-14-9-5-6-10-16(14)26-19/h5-6,9-10,20H,4,7-8,11-12H2,1-3H3/b17-13+InChIKey
TVQVZBWMEJHIGP-GHRIWEEISA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((3METHOXYPROPYL)AMINO)ETHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(3methoxypropylamino)ethylidene)5propylpyrazol3one
CCCC1=NN(C(=O)C1=C(C)NCCCOC)C2=NC3=CC=CC=C3S2
COCCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CCC)C
InChI=1SC19H24N4O2Sc1481517(13(2)2011712253)18(24)23(2215)1921149561016(14)2619h5691020H4781112H213H3b1713+
MFCD07597354
ZINC000004736826
ZINC04736826
ZINC4736826
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