Vitas-M small molecule compound
4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Catalog ID
STK060773
SMILES COc1cc(C(=O)Nc2nnc(s2)C(F)(F)F)c(cc1OC)[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 C12H9F3N4O5S MW 378.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F3N4O5S/c1-23-7-3-5(6(19(21)22)4-8(7)24-2)9(20)16-11-18-17-10(25-11)12(13,14)15/h3-4H,1-2H3,(H,16,18,20)InChIKey
VFNMJMQBWUDZSY-UHFFFAOYSA-NSynonyms
519170-57-1(45DIMETHOXY2NITROPHENYL)N(5(TRIFLUOROMETHYL)(134THIADIAZOL2YL))CARBOXAMIDE
45DIMETHOXY2NITRON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BENZAMIDE
519170571
COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)(N+)(=O)(O))OC
COc1cc(C(=O)Nc2nnc(s2)C(F)(F)F)c(cc1OC)(N+)(=O)(O)
InChI=1SC12H9F3N4O5Sc123735(6(19(21)22)48(7)242)9(20)1611181710(2511)12(1314)15h34H12H3(H161820)
MFCD03351880
STK060773
ZINC000001150191
ZINC01150191
ZINC1150191
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