Vitas-M small molecule compound

4-ethoxy-3-nitro-N-{[3-(trifluoromethyl)phenyl]carbamothioyl}benzamide

Catalog ID
STK087802
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1)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 C17H14F3N3O4S MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N3O4S/c1-2-27-14-7-6-10(8-13(14)23(25)26)15(24)22-16(28)21-12-5-3-4-11(9-12)17(18,19)20/h3-9H,2H2,1H3,(H2,21,22,24,28)
InChIKey
CQQPCNWVLQTXEN-UHFFFAOYSA-N
Synonyms

4ETHOXY3NITRON((3(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1)C(F)(F)F
InChI=1SC17H14F3N3O4Sc1227147610(813(14)23(25)26)15(24)2216(28)211253411(912)17(1819)20h39H2H21H3(H221222428)
MFCD02626958
STK087802
ZINC000001171358
ZINC01171358
ZINC1171358

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Available files

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