Vitas-M small molecule compound
(4Z)-4-[(2,1,3-benzothiadiazol-4-ylamino)methylidene]-2-(4-bromo-2-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL358640
SMILES Brc1ccc(c(c1)C)N1N=C(/C(=C/Nc2cccc3c2nsn3)/C1=O)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 C18H14BrN5OS MW 428.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrN5OS/c1-10-8-12(19)6-7-16(10)24-18(25)13(11(2)21-24)9-20-14-4-3-5-15-17(14)23-26-22-15/h3-9,20H,1-2H3/b13-9-InChIKey
LYUVNJYEEIVOCT-LCYFTJDESA-NSynonyms
(4Z)4((213BENZOTHIADIAZOL4YLAMINO)METHYLENE)2(4BROMO2METHYLPHENYL)5METHYL24DIHYDRO3HPYRAZOL3ONE
(4Z)4((213benzothiadiazol4ylamino)methylidene)2(4bromo2methylphenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4((213benzothiadiazol4ylamino)methylidene)2(4bromo2methylphenyl)5methylpyrazol3one
Brc1ccc(c(c1)C)N1N=C(C(=CNc2cccc3c2nsn3)C1=O)C
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC3=CC=CC4=NSN=C43)C(=N2)C
InChI=1SC18H14BrN5OSc110812(19)6716(10)2418(25)13(11(2)2124)920144351517(14)23262215h3920H12H3b139
MFCD14710898
ZINC000100842721
ZINC100842721
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