Vitas-M small molecule compound

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

Catalog ID
STK029042
SMILES COc1cc(ccc1OC)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 C22H19N5O3S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O3S/c1-29-19-11-8-14(12-20(19)30-2)21(28)24-22(31)23-15-9-10-17-18(13-15)26-27(25-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,23,24,28,31)
InChIKey
AFSDGPQHYDRLEF-UHFFFAOYSA-N
Synonyms
335213-58-6
1(34DIMETHOXYBENZOYL)3(2PHENYL2HBENZOTRIAZOL5YL)THIOUREA
335213586
34dimethoxyN((2phenyl2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
34DIMETHOXYN((2PHENYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
34dimethoxyN((2phenylbenzotriazol5yl)carbamothioyl)benzamide
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)OC
COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccccc1
InChI=1SC22H19N5O3Sc1291911814(1220(19)302)21(28)2422(31)23159101718(1315)2627(2517)166435716h313H12H3(H223242831)
MFCD02577934
N(34DIMETHOXYBENZOYL)N(2PHENYL2H123BENZOTRIAZOL5YL)THIOUREA
STK029042
ZINC000000881484
ZINC00881484
ZINC881484

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Available files

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