Vitas-M small molecule compound
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK303482
SMILES CCn1c(SCC(=O)N2N=C(CC2(O)C(F)F)C(F)F)nnc1c1nn(c(c1)C(F)(F)F)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 C16H16F7N7O2S MW 503.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F7N7O2S/c1-3-29-12(7-4-9(16(21,22)23)28(2)26-7)24-25-14(29)33-6-10(31)30-15(32,13(19)20)5-8(27-30)11(17)18/h4,11,13,32H,3,5-6H2,1-2H3InChIKey
WIMGLCXHSLMUJC-UHFFFAOYSA-NSynonyms
1005608-27-41(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2((4ethyl5(1methyl5(trifluoromethyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)ethanone
1(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)2((4ETHYL5(1METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)124TRIAZOL3YL)SULFANYL)ETHANONE
1005608274
CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)C3=NN(C(=C3)C(F)(F)F)C
InChI=1SC16H16F7N7O2Sc132912(749(16(2122)23)28(2)267)242514(29)33610(31)3015(3213(19)20)58(2730)11(17)18h4111332H356H212H3
MFCD04049559
ZINC000013958373
ZINC000013958374
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