Vitas-M small molecule compound
5-bromo-2-chloro-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK345000
SMILES COc1ccc(cc1[N+](=O)[O-])NC(=S)NC(=O)c1cc(Br)ccc1Cl
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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 C15H11BrClN3O4S MW 444.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11BrClN3O4S/c1-24-13-5-3-9(7-12(13)20(22)23)18-15(25)19-14(21)10-6-8(16)2-4-11(10)17/h2-7H,1H3,(H2,18,19,21,25)InChIKey
MXUJPPSIPCBKIX-UHFFFAOYSA-NSynonyms
5bromo2chloroN((4methoxy3nitrophenyl)carbamothioyl)benzamide
COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))NC(=S)NC(=O)c1cc(Br)ccc1Cl
InChI=1SC15H11BrClN3O4Sc12413539(712(13)20(22)23)1815(25)1914(21)1068(16)2411(10)17h27H1H3(H218192125)
MFCD06007421
ZINC000001066804
ZINC01066804
ZINC1066804
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