Vitas-M small molecule compound

N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3-methylbenzamide

Catalog ID
STK024001
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1)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 C23H21N5O2S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O2S/c1-14-5-4-6-16(11-14)22(29)25-23(31)24-19-13-21-20(12-15(19)2)26-28(27-21)17-7-9-18(30-3)10-8-17/h4-13H,1-3H3,(H2,24,25,29,31)
InChIKey
SXXLGNJWDXAHFF-UHFFFAOYSA-N
Synonyms
428498-97-9
428498979
CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccc(c1)C
InChI=1SC23H21N5O2Sc11454616(1114)22(29)2523(31)2419132120(1215(19)2)2628(2721)177918(303)10817h413H13H3(H224252931)
MFCD02630813
N((2(4methoxyphenyl)6methyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)3methylbenzamide
N((2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3METHYLBENZAMIDE
N((2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3METHYLBENZAMIDE
STK024001
ZINC000001174687
ZINC01174687
ZINC1174687

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Available files

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