Vitas-M small molecule compound
3-bromo-4-ethoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK049073
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1F)[N+](=O)[O-]
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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 C16H13BrFN3O4S MW 442.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrFN3O4S/c1-2-25-14-6-3-9(7-11(14)17)15(22)20-16(26)19-13-8-10(21(23)24)4-5-12(13)18/h3-8H,2H2,1H3,(H2,19,20,22,26)InChIKey
AJTGVELJOJLSKK-UHFFFAOYSA-NSynonyms
3BROMO4ETHOXYN((2FLUORO5NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))F)Br
CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1F)(N+)(=O)(O)
InChI=1SC16H13BrFN3O4Sc122514639(711(14)17)15(22)2016(26)1913810(21(23)24)4512(13)18h38H2H21H3(H219202226)
MFCD02821011
STK049073
ZINC000001171880
ZINC01171880
ZINC1171880
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