Vitas-M small molecule compound

2-bromo-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide

Catalog ID
STK021027
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccccc1Br

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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 C22H18BrN5O2S MW 496.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O2S/c1-2-30-16-10-8-15(9-11-16)28-26-19-12-7-14(13-20(19)27-28)24-22(31)25-21(29)17-5-3-4-6-18(17)23/h3-13H,2H2,1H3,(H2,24,25,29,31)
InChIKey
ZMZAGERLBGAYBM-UHFFFAOYSA-N
Synonyms
425682-80-0
2bromoN((2(4ethoxyphenyl)2Hbenzo(d)(123)triazol5yl)carbamothioyl)benzamide
2BROMON((2(4ETHOXYPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
2BROMON((2(4ETHOXYPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
425682800
CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4Br
CCOc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccccc1Br
InChI=1SC22H18BrN5O2Sc12301610815(91116)28261912714(1320(19)2728)2422(31)2521(29)17534618(17)23h313H2H21H3(H224252931)
MFCD02630018
STK021027
ZINC000001170047
ZINC01170047
ZINC1170047

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Available files

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