Vitas-M small molecule compound

3-methoxy-N-{[2-(naphthalen-1-yl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide

Catalog ID
STL016032
SMILES COc1cccc(c1)C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1cccc2c1cccc2

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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 C25H19N5O2S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N5O2S/c1-32-19-9-4-8-17(14-19)24(31)27-25(33)26-18-12-13-21-22(15-18)29-30(28-21)23-11-5-7-16-6-2-3-10-20(16)23/h2-15H,1H3,(H2,26,27,31,33)
InChIKey
MQHRPQZZTDEIRJ-UHFFFAOYSA-N
Synonyms
426232-84-0
3methoxyN((2(naphthalen1yl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
3methoxyN((2(naphthalen1yl)2Hbenzotriazol5yl)carbamothioyl)benzamide
3METHOXYN((2NAPHTHALEN1YLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
426232840
COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54
InChI=1SC25H19N5O2Sc1321994817(1419)24(31)2725(33)261812132122(1518)2930(2821)231157166231020(16)23h215H1H3(H226273133)
MFCD02631467
N(3METHOXYBENZOYL)N(2(1NAPHTHYL)2H123BENZOTRIAZOL5YL)THIOUREA
ZINC000000660501
ZINC00660501
ZINC660501

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Available files

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