Vitas-M small molecule compound
3-bromo-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}-4-ethoxybenzamide
Catalog ID
STK088727
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1Cl)C(F)(F)F
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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 C17H13BrClF3N2O2S MW 481.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrClF3N2O2S/c1-2-26-14-6-3-9(7-11(14)18)15(25)24-16(27)23-13-8-10(17(20,21)22)4-5-12(13)19/h3-8H,2H2,1H3,(H2,23,24,25,27)InChIKey
MYIJMUGVMRMUOF-UHFFFAOYSA-NSynonyms
3BROMON((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Br
CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1Cl)C(F)(F)F
InChI=1SC17H13BrClF3N2O2Sc122614639(711(14)18)15(25)2416(27)2313810(17(2021)22)4512(13)19h38H2H21H3(H223242527)
MFCD02821235
STK088727
ZINC000002987023
ZINC02987023
ZINC2987023
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