Vitas-M small molecule compound
N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide
Catalog ID
STL404263
SMILES CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCCCn1nc(c(c1C)[N+](=O)[O-])C
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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 C19H25F3N6O3 MW 442.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25F3N6O3/c1-4-14(27-15-8-5-7-13(15)17(25-27)19(20,21)22)18(29)23-9-6-10-26-12(3)16(28(30)31)11(2)24-26/h14H,4-10H2,1-3H3,(H,23,29)InChIKey
GBPWNVQEEKNMCU-UHFFFAOYSA-NSynonyms
1006993-77-61006993776
CCC(C(=O)NCCCN1C(=C(C(=N1)C)(N+)(=O)(O))C)N2C3=C(CCC3)C(=N2)C(F)(F)F
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCCCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC19H25F3N6O3c1414(271585713(15)17(2527)19(2021)22)18(29)2396102612(3)16(28(30)31)11(2)2426h14H410H213H3(H2329)
MFCD08555216
N(3(35dimethyl4nitro1Hpyrazol1yl)propyl)2(3(trifluoromethyl)56dihydrocyclopenta(c)pyrazol1(4H)yl)butanamide
N(3(35dimethyl4nitropyrazol1yl)propyl)2(3(trifluoromethyl)56dihydro4Hcyclopenta(c)pyrazol1yl)butanamide
ZINC000020607600
ZINC000020607601
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