Vitas-M small molecule compound

3-methyl-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide

Catalog ID
STK183942
SMILES S=C(NC(=O)c1cccc(c1)C)Nc1ccc2c(c1)nn(n2)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 C21H17N5OS MW 387.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5OS/c1-14-6-5-7-15(12-14)20(27)23-21(28)22-16-10-11-18-19(13-16)25-26(24-18)17-8-3-2-4-9-17/h2-13H,1H3,(H2,22,23,27,28)
InChIKey
AYGNQMHHUBBGAV-UHFFFAOYSA-N
Synonyms

3methylN((2phenyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
3METHYLN((2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
3METHYLN((2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4
InChI=1SC21H17N5OSc11465715(1214)20(27)2321(28)221610111819(1316)2526(2418)178324917h213H1H3(H222232728)
MFCD02628339
ZINC000001184386
ZINC01184386
ZINC1184386

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Available files

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