Vitas-M small molecule compound
propan-2-yl 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
Catalog ID
STL402538
SMILES CCn1nc(c(c1)NC(=O)C(n1nc(c(c1C)Br)C(F)(F)F)C)C(=O)OC(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 C17H21BrF3N5O3 MW 480.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21BrF3N5O3/c1-6-25-7-11(13(23-25)16(28)29-8(2)3)22-15(27)10(5)26-9(4)12(18)14(24-26)17(19,20)21/h7-8,10H,6H2,1-5H3,(H,22,27)InChIKey
RJZWTGKSFVPERL-UHFFFAOYSA-NSynonyms
1005624-32-71005624327
CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C
InChI=1SC17H21BrF3N5O3c1625711(13(2325)16(28)298(2)3)2215(27)10(5)269(4)12(18)14(2426)17(1920)21h7810H6H215H3(H2227)
MFCD04132953
propan2yl4((2(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)1ethyl1Hpyrazole3carboxylate
propan2yl4(2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)propanoylamino)1ethylpyrazole3carboxylate
ZINC000002798664
ZINC000002798665
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