Vitas-M small molecule compound

3-bromo-4-methoxy-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide

Catalog ID
STK035694
SMILES COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)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 C22H18BrN5O2S MW 496.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O2S/c1-13-3-7-16(8-4-13)28-26-18-9-6-15(12-19(18)27-28)24-22(31)25-21(29)14-5-10-20(30-2)17(23)11-14/h3-12H,1-2H3,(H2,24,25,29,31)
InChIKey
PIQZAGQASKDBPY-UHFFFAOYSA-N
Synonyms
428451-08-5
3BROMO4METHOXYN((2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
3BROMO4METHOXYN((2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
3bromo4methoxyN((2(ptolyl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
428451085
CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br
COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C
InChI=1SC22H18BrN5O2Sc1133716(8413)2826189615(1219(18)2728)2422(31)2521(29)1451020(302)17(23)1114h312H12H3(H224252931)
MFCD02625143
STK035694
ZINC000002979559
ZINC02979559
ZINC2979559

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Available files

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