Vitas-M small molecule compound
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(pentafluorophenyl)benzamide
Catalog ID
STL403899
SMILES O=C(c1cccc(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1c(F)c(F)c(c(c1F)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 C19H13F5N4O3 MW 440.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F5N4O3/c1-8-18(28(30)31)9(2)27(26-8)7-10-4-3-5-11(6-10)19(29)25-17-15(23)13(21)12(20)14(22)16(17)24/h3-6H,7H2,1-2H3,(H,25,29)InChIKey
DDIUNLDIVVPCKE-UHFFFAOYSA-NSynonyms
514800-37-43((35dimethyl4nitro1Hpyrazol1yl)methyl)N(pentafluorophenyl)benzamide
3((35dimethyl4nitropyrazol1yl)methyl)N(23456pentafluorophenyl)benzamide
514800374
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C(=C(C(=C3F)F)F)F)F)C)(N+)(=O)(O)
InChI=1SC19H13F5N4O3c1818(28(30)31)9(2)27(268)71043511(610)19(29)251715(23)13(21)12(20)14(22)16(17)24h36H7H212H3(H2529)
MFCD03757367
O=C(c1cccc(c1)Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1c(F)c(F)c(c(c1F)F)F
ZINC000002115166
ZINC02115166
ZINC2115166
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