Vitas-M small molecule compound

N-(2,1,3-benzothiadiazol-4-yl)-4-{5-[(4-chlorobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzamide

Catalog ID
STL436475
SMILES Clc1ccc(cc1)CSc1nnnn1c1ccc(cc1)C(=O)Nc1cccc2c1nsn2

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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 C21H14ClN7OS2 MW 479.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN7OS2/c22-15-8-4-13(5-9-15)12-31-21-24-27-28-29(21)16-10-6-14(7-11-16)20(30)23-17-2-1-3-18-19(17)26-32-25-18/h1-11H,12H2,(H,23,30)
InChIKey
IOHBDSOSHYNLJC-UHFFFAOYSA-N
Synonyms

C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC=C(C=C3)N4C(=NN=N4)SCC5=CC=C(C=C5)Cl
InChI=1SC21H14ClN7OS2c22158413(5915)12312124272829(21)1610614(71116)20(30)23172131819(17)26322518h111H12H2(H2330)
MFCD15119356
N(213benzothiadiazol4yl)4(5((4chlorobenzyl)sulfanyl)1Htetrazol1yl)benzamide
N(213benzothiadiazol4yl)4(5((4chlorophenyl)methylsulfanyl)tetrazol1yl)benzamide
ZINC000015869171
ZINC15869171

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Available files

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