Vitas-M small molecule compound
(4Z)-4-[(2,1,3-benzothiadiazol-4-ylamino)methylidene]-2-(4-bromo-2,3-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL358639
SMILES CC1=NN(C(=O)/C/1=C\Nc1cccc2c1nsn2)c1ccc(c(c1C)C)Br
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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 C19H16BrN5OS MW 442.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrN5OS/c1-10-11(2)17(8-7-14(10)20)25-19(26)13(12(3)22-25)9-21-15-5-4-6-16-18(15)24-27-23-16/h4-9,21H,1-3H3/b13-9-InChIKey
CIIXHKFXLWYRTQ-LCYFTJDESA-NSynonyms
(4Z)4((213benzothiadiazol4ylamino)methylidene)2(4bromo23dimethylphenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4((213benzothiadiazol4ylamino)methylidene)2(4bromo23dimethylphenyl)5methylpyrazol3one
CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC=CC4=NSN=C43)C(=N2)C
CC1=NN(C(=O)C1=CNc1cccc2c1nsn2)c1ccc(c(c1C)C)Br
InChI=1SC19H16BrN5OSc11011(2)17(8714(10)20)2519(26)13(12(3)2225)921155461618(15)24272316h4921H13H3b139
MFCD28033624
ZINC000101346849
ZINC101346849
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