Vitas-M small molecule compound
4-ethoxy-3-nitro-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK259608
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1C(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 C17H14F3N3O4S MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N3O4S/c1-2-27-14-8-7-10(9-13(14)23(25)26)15(24)22-16(28)21-12-6-4-3-5-11(12)17(18,19)20/h3-9H,2H2,1H3,(H2,21,22,24,28)InChIKey
QXONHVPJLWCXQR-UHFFFAOYSA-NSynonyms
4ethoxy3nitroN((2(trifluoromethyl)phenyl)carbamothioyl)benzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1C(F)(F)F
InChI=1SC17H14F3N3O4Sc1227148710(913(14)23(25)26)15(24)2216(28)2112643511(12)17(1819)20h39H2H21H3(H221222428)
MFCD02820738
ZINC000001171174
ZINC01171174
ZINC1171174
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