Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK231995
SMILES COCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-15(23-13-8-14-28-2)19-20(16-9-4-3-5-10-16)25-26(21(19)27)22-24-17-11-6-7-12-18(17)29-22/h3-7,9-12,23H,8,13-14H2,1-2H3/b19-15-InChIKey
XYYHYIGKVNUSTN-CYVLTUHYSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((3methoxypropyl)amino)ethylidene)5phenyl24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(3METHOXYPROPYLAMINO)ETHYLIDENE)5PHENYLPYRAZOL3ONE
1BENZOTHIAZOL2YL4(((3METHOXYPROPYL)AMINO)ETHYLIDENE)3PHENYL12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCCCOC
COCCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)C
InChI=1SC22H22N4O2Sc115(2313814282)1920(1694351016)2526(21(19)27)22241711671218(17)2922h3791223H81314H212H3b1915
MFCD07598464
ZINC000004736933
ZINC04736933
ZINC4736933
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