Vitas-M small molecule compound

3,4,5-trimethoxy-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide

Catalog ID
STK184196
SMILES COc1cc(cc(c1OC)OC)C(=O)NC(=S)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 C23H21N5O4S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4S/c1-30-19-11-14(12-20(31-2)21(19)32-3)22(29)25-23(33)24-15-9-10-17-18(13-15)27-28(26-17)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,24,25,29,33)
InChIKey
QGHLCENVYGPXAK-UHFFFAOYSA-N
Synonyms

345TRIMETHOXYN((2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
345trimethoxyN((2phenylbenzotriazol5yl)carbamothioyl)benzamide
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4
InChI=1SC23H21N5O4Sc130191114(1220(312)21(19)323)22(29)2523(33)24159101718(1315)2728(2617)167546816h413H13H3(H224252933)
MFCD02810338
ZINC000009906470
ZINC09906470
ZINC9906470

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Available files

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