Vitas-M small molecule compound
benzyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK709766
SMILES O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C(=NN2)C(=O)OCc1ccccc1
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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 C20H14F3N3O4 MW 417.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14F3N3O4/c21-20(22,23)12-7-4-8-13(9-12)26-17(27)14-15(18(26)28)24-25-16(14)19(29)30-10-11-5-2-1-3-6-11/h1-9,14-15,24H,10H2InChIKey
IBCWCPCOCVOGKE-UHFFFAOYSA-NSynonyms
956960-33-1956960331
benzyl46dioxo5(3(trifluoromethyl)phenyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
BENZYL46DIOXO5(3(TRIFLUOROMETHYL)PHENYL)3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
C1=CC=C(C=C1)COC(=O)C2=NNC3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC20H14F3N3O4c2120(2223)1274813(912)2617(27)1415(18(26)28)242516(14)19(29)3010115213611h19141524H10H2
MFCD04177737
ZINC000012376513
ZINC000100165693
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