Vitas-M small molecule compound
(4E)-4-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2-(naphthalen-1-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295717
SMILES COc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1cccc2c1cccc2)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 C23H18N4O2S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O2S/c1-14-18(13-24-23-25-19-11-10-16(29-2)12-21(19)30-23)22(28)27(26-14)20-9-5-7-15-6-3-4-8-17(15)20/h3-13H,1-2H3,(H,24,25)/b18-13+InChIKey
JBIFDZPKKXSDGR-QGOAFFKASA-NSynonyms
(4E)4(((6methoxy13benzothiazol2yl)amino)methylidene)5methyl2(naphthalen1yl)24dihydro3Hpyrazol3one
(4E)4(((6methoxy13benzothiazol2yl)amino)methylidene)5methyl2naphthalen1ylpyrazol3one
CC1=NN(C(=O)C1=CNC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC5=CC=CC=C54
COc1ccc2c(c1)sc(n2)NC=C1C(=NN(C1=O)c1cccc2c1cccc2)C
InChI=1SC23H18N4O2Sc11418(1324232519111016(292)1221(19)3023)22(28)27(2614)2095715634817(15)20h313H12H3(H2425)b1813+
MFCD28033100
ZINC000101122643
ZINC101122643
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