Vitas-M small molecule compound

4-methoxy-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide

Catalog ID
STK041301
SMILES COc1ccc(cc1)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccccc1

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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 C22H19N5O2S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O2S/c1-14-12-19-20(26-27(25-19)16-6-4-3-5-7-16)13-18(14)23-22(30)24-21(28)15-8-10-17(29-2)11-9-15/h3-13H,1-2H3,(H2,23,24,28,30)
InChIKey
BVIDCMIWGXUTMZ-UHFFFAOYSA-N
Synonyms
333739-68-7
1(4METHOXYBENZOYL)3(6METHYL2PHENYL2HBENZOTRIAZOL5YL)THIOUREA
333739687
4methoxyN((6methyl2phenyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
4METHOXYN((6METHYL2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4methoxyN((6methyl2phenylbenzotriazol5yl)carbamothioyl)benzamide
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4
COc1ccc(cc1)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccccc1
InChI=1SC22H19N5O2Sc114121920(2627(2519)166435716)1318(14)2322(30)2421(28)1581017(292)11915h313H12H3(H223242830)
MFCD02578185
N(4METHOXYBENZOYL)N(6METHYL2PHENYL2H123BENZOTRIAZOL5YL)THIOUREA
STK041301
ZINC000000882024
ZINC00882024
ZINC882024

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.