Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK057834
SMILES CCCC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)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 C28H23N5OS2 MW 509.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5OS2/c1-3-6-21-20(27(34)33(32-21)28-31-22-7-4-5-8-24(22)36-28)16-29-19-12-10-18(11-13-19)26-30-23-14-9-17(2)15-25(23)35-26/h4-5,7-16,29H,3,6H2,1-2H3/b20-16+InChIKey
MUKKUISAAMFJBW-CAPFRKAQSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((4(6METHYL13BENZOTHIAZOL2YL)PHENYL)AMINO)METHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4((4(6methyl13benzothiazol2yl)anilino)methylidene)5propylpyrazol3one
CCCC1=NN(C(=O)C1=CNc1ccc(cc1)c1nc2c(s1)cc(cc2)C)c1nc2c(s1)cccc2
CCCC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=NC6=CC=CC=C6S5
InChI=1SC28H23N5OS2c1362120(27(34)33(3221)283122745824(22)3628)162919121018(111319)26302314917(2)1525(23)3526h4571629H36H212H3b2016+
MFCD06240689
STK057834
ZINC000013896103
ZINC13896103
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