Vitas-M small molecule compound
2-methyl-3-nitro-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK087165
SMILES S=C(Nc1ccccc1C(F)(F)F)NC(=O)c1cccc(c1C)[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 C16H12F3N3O3S MW 383.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F3N3O3S/c1-9-10(5-4-8-13(9)22(24)25)14(23)21-15(26)20-12-7-3-2-6-11(12)16(17,18)19/h2-8H,1H3,(H2,20,21,23,26)InChIKey
MBOBWRUAYGWHCF-UHFFFAOYSA-NSynonyms
(2METHYL3NITROPHENYL)N(THIOXO((2(TRIFLUOROMETHYL)PHENYL)AMINO)METHYL)CARBOXAMIDE
2METHYL3NITRON((2(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F
InChI=1SC16H12F3N3O3Sc1910(54813(9)22(24)25)14(23)2115(26)2012732611(12)16(1718)19h28H1H3(H220212326)
MFCD02914941
S=C(Nc1ccccc1C(F)(F)F)NC(=O)c1cccc(c1C)(N+)(=O)(O)
STK087165
ZINC000004090898
ZINC04090898
ZINC4090898
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