Vitas-M small molecule compound
{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}[7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methanone
Catalog ID
STL399619
SMILES O=C(N1CCC(n2c1ccn2)C(F)(F)F)c1noc(c1Cn1nc(c(c1C)[N+](=O)[O-])C)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 C18H18F3N7O4 MW 453.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N7O4/c1-9-16(28(30)31)10(2)26(23-9)8-12-11(3)32-24-15(12)17(29)25-7-5-13(18(19,20)21)27-14(25)4-6-22-27/h4,6,13H,5,7-8H2,1-3H3InChIKey
YKZIDTZRTZWCBI-UHFFFAOYSA-NSynonyms
1006995-67-0(4((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)5METHYL12OXAZOL3YL)(7(TRIFLUOROMETHYL)67DIHYDROPYRAZOLO(15A)PYRIMIDIN4(5H)YL)METHANONE
(4((35dimethyl4nitropyrazol1yl)methyl)5methyl12oxazol3yl)(7(trifluoromethyl)67dihydro5Hpyrazolo(15a)pyrimidin4yl)methanone
1006995670
CC1=C(C(=NN1CC2=C(ON=C2C(=O)N3CCC(N4C3=CC=N4)C(F)(F)F)C)C)(N+)(=O)(O)
InChI=1SC18H18F3N7O4c1916(28(30)31)10(2)26(239)81211(3)322415(12)17(29)257513(18(1920)21)2714(25)462227h4613H578H213H3
MFCD08554032
O=C(N1CCC(n2c1ccn2)C(F)(F)F)c1noc(c1Cn1nc(c(c1C)(N+)(=O)(O))C)C
ZINC000022535160
ZINC000022535167
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