Vitas-M small molecule compound
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Catalog ID
STL329883
SMILES O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1c(C)n(n(c1=O)c1ccccc1)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 C16H16F6N4O2 MW 410.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F6N4O2/c1-9-11(12(27)26(25(9)3)10-7-5-4-6-8-10)23-13(28)24-14(2,15(17,18)19)16(20,21)22/h4-8H,1-3H3,(H2,23,24,28)InChIKey
HZEVXFAZUAVAPT-UHFFFAOYSA-NSynonyms
1(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)3(111333hexafluoro2methylpropan2yl)urea
1(15dimethyl3oxo2phenylpyrazol4yl)3(111333hexafluoro2methylpropan2yl)urea
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChI=1SC16H16F6N4O2c1911(12(27)26(25(9)3)107546810)2313(28)2414(215(1718)19)16(2021)22h48H13H3(H2232428)
MFCD00575446
ZINC000002217015
ZINC02217015
ZINC2217015
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