Vitas-M small molecule compound

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

Catalog ID
STK009306
SMILES COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)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 C23H21N5O3S MW 447.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O3S/c1-14-4-8-17(9-5-14)28-26-18-10-7-16(13-19(18)27-28)24-23(32)25-22(29)15-6-11-20(30-2)21(12-15)31-3/h4-13H,1-3H3,(H2,24,25,29,32)
InChIKey
NMCNDMDGCNYJEV-UHFFFAOYSA-N
Synonyms
335213-59-7
1(34DIMETHOXYBENZOYL)3(2PTOLYL2HBENZOTRIAZOL5YL)THIOUREA
335213597
34DIMETHOXYN((2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
34dimethoxyN((2(4methylphenyl)benzotriazol5yl)carbamothioyl)benzamide
34dimethoxyN((2(ptolyl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C
InChI=1SC23H21N5O3Sc1144817(9514)28261810716(1319(18)2728)2423(32)2522(29)1561120(302)21(1215)313h413H13H3(H224252932)
MFCD02577935
N(34DIMETHOXYBENZOYL)N(2(4METHYLPHENYL)2H123BENZOTRIAZOL5YL)THIOUREA
STK009306
ZINC000000881486
ZINC00881486
ZINC881486

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Available files

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