Vitas-M small molecule compound
5-methyl-N'-{[(4-nitrophenyl)carbonyl]oxy}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
Catalog ID
STL392709
SMILES Cc1cc(n2c(n1)c(cn2)/C(=N/OC(=O)c1ccc(cc1)[N+](=O)[O-])/N)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 C16H11F3N6O4 MW 408.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F3N6O4/c1-8-6-12(16(17,18)19)24-14(22-8)11(7-21-24)13(20)23-29-15(26)9-2-4-10(5-3-9)25(27)28/h2-7H,1H3,(H2,20,23)InChIKey
NSIBRVJOQUOGMM-UHFFFAOYSA-NSynonyms
932176-76-6((E)(amino(5methyl7(trifluoromethyl)pyrazolo(15a)pyrimidin3yl)methylidene)amino)4nitrobenzoate
5methylN(((4nitrophenyl)carbonyl)oxy)7(trifluoromethyl)pyrazolo(15a)pyrimidine3carboximidamide
932176766
CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=NOC(=O)C3=CC=C(C=C3)(N+)(=O)(O))N
Cc1cc(n2c(n1)c(cn2)C(=NOC(=O)c1ccc(cc1)(N+)(=O)(O))N)C(F)(F)F
InChI=1SC16H11F3N6O4c18612(16(1718)19)2414(228)11(72124)13(20)232915(26)92410(539)25(27)28h27H1H3(H22023)
MFCD28952528
ZINC000013644955
ZINC13644955
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