Vitas-M small molecule compound

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

Catalog ID
STK019035
SMILES S=C(NC(=O)c1ccc(cc1)Cl)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 C21H16ClN5OS MW 421.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5OS/c1-13-11-18-19(26-27(25-18)16-5-3-2-4-6-16)12-17(13)23-21(29)24-20(28)14-7-9-15(22)10-8-14/h2-12H,1H3,(H2,23,24,28,29)
InChIKey
HVDIZCQGUNTRJF-UHFFFAOYSA-N
Synonyms
347340-35-6
347340356
4CHLORON(((6METHYL2PHENYL2H123BENZOTRIAZOL5YL)AMINO)CARBONOTHIOYL)BENZAMIDE
4chloroN((6methyl2phenyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
4CHLORON((6METHYL2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4CHLORON((6METHYL2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI=1SC21H16ClN5OSc113111819(2627(2518)165324616)1217(13)2321(29)2420(28)147915(22)10814h212H1H3(H223242829)
MFCD02619942
S=C(NC(=O)c1ccc(cc1)Cl)Nc1cc2nn(nc2cc1C)c1ccccc1
STK019035
ZINC000001409726
ZINC01409726
ZINC1409726

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Available files

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