Vitas-M small molecule compound

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

Catalog ID
STK091064
SMILES CCCC1=NN(C(=O)/C/1=C/Nc1cc(Cl)ccc1Oc1ccccc1)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 C26H21ClN4O2S MW 489.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O2S/c1-2-8-20-19(25(32)31(30-20)26-29-21-11-6-7-12-24(21)34-26)16-28-22-15-17(27)13-14-23(22)33-18-9-4-3-5-10-18/h3-7,9-16,28H,2,8H2,1H3/b19-16+
InChIKey
VMPUEXXRXTXYAM-KNTRCKAVSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4(((5CHLORO2PHENOXYPHENYL)AMINO)METHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4((5chloro2phenoxyanilino)methylidene)5propylpyrazol3one
(E)1(benzo(d)thiazol2yl)4(((5chloro2phenoxyphenyl)amino)methylene)3propyl1Hpyrazol5(4H)one
CCCC1=NN(C(=O)C1=CNc1cc(Cl)ccc1Oc1ccccc1)c1nc2c(s1)cccc2
CCCC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4
InChI=1SC26H21ClN4O2Sc1282019(25(32)31(3020)26292111671224(21)3426)1628221517(27)131423(22)331894351018h3791628H28H21H3b1916+
MFCD03032851
STK091064
ZINC000100967920
ZINC100967920

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Available files

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