Vitas-M small molecule compound
3-bromo-N-[(6-chloro-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-4-methoxybenzamide
Catalog ID
STK347488
SMILES COc1ccc(cc1Br)C(=O)NC(=S)Nc1cc2nn(nc2cc1Cl)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 C21H15BrClN5O2S MW 516.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrClN5O2S/c1-30-19-8-7-12(9-14(19)22)20(29)25-21(31)24-16-11-18-17(10-15(16)23)26-28(27-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29,31)InChIKey
RGJPAUGAJHXWRI-UHFFFAOYSA-NSynonyms
3bromoN((6chloro2phenyl2Hbenzotriazol5yl)carbamothioyl)4methoxybenzamide
3BROMON((6CHLORO2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)4METHOXYBENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Br
InChI=1SC21H15BrClN5O2Sc130198712(914(19)22)20(29)2521(31)2416111817(1015(16)23)2628(2718)135324613h211H1H3(H224252931)
MFCD03908683
ZINC000006297077
ZINC6297077
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