Vitas-M small molecule compound
N-[3-(4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide
Catalog ID
STL405501
SMILES CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCCCn1ncc(c1)[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 C17H21F3N6O3 MW 414.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21F3N6O3/c1-2-13(25-14-6-3-5-12(14)15(23-25)17(18,19)20)16(27)21-7-4-8-24-10-11(9-22-24)26(28)29/h9-10,13H,2-8H2,1H3,(H,21,27)InChIKey
XNMQBADMDNQOLD-UHFFFAOYSA-NSynonyms
1006993-81-21006993812
CCC(C(=O)NCCCN1C=C(C=N1)(N+)(=O)(O))N2C3=C(CCC3)C(=N2)C(F)(F)F
CCC(n1nc(c2c1CCC2)C(F)(F)F)C(=O)NCCCn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H21F3N6O3c1213(251463512(14)15(2325)17(1819)20)16(27)21748241011(92224)26(28)29h91013H28H21H3(H2127)
MFCD08555337
N(3(4nitro1Hpyrazol1yl)propyl)2(3(trifluoromethyl)56dihydrocyclopenta(c)pyrazol1(4H)yl)butanamide
N(3(4nitropyrazol1yl)propyl)2(3(trifluoromethyl)56dihydro4Hcyclopenta(c)pyrazol1yl)butanamide
ZINC000020607612
ZINC000020607613
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