Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK078159
SMILES OCCCN/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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c25-12-6-11-21-13-15-18(14-7-2-1-3-8-14)23-24(19(15)26)20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10,13,21,25H,6,11-12H2/b15-13+
InChIKey
RQYROBYFFYZJNY-FYWRMAATSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4(((3HYDROXYPROPYL)AMINO)METHYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((3HYDROXYPROPYLAMINO)METHYLIDENE)5PHENYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(((3hydroxypropyl)amino)methylene)3phenyl1Hpyrazol5(4H)one
2(13BENZOTHIAZOL2YL)4((E)((3HYDROXYPROPYL)IMINO)METHYL)5PHENYL12DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCO)C3=NC4=CC=CC=C4S3
InChI=1SC20H18N4O2Sc251261121131518(147213814)2324(19(15)26)2022169451017(16)2720h15710132125H61112H2b1513+
MFCD01243344
OCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1
STK078159
ZINC000096501749
ZINC96501749

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Available files

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