Vitas-M small molecule compound
5-[4-chloro-3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3H,5H)-dione
Catalog ID
STL442793
SMILES O=C1N(c2ccc(c(c2)C(F)(F)F)Cl)C(=O)C2C1N=NC2
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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 C12H7ClF3N3O2 MW 317.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7ClF3N3O2/c13-8-2-1-5(3-7(8)12(14,15)16)19-10(20)6-4-17-18-9(6)11(19)21/h1-3,6,9H,4H2InChIKey
JFJCDDYILLBPRB-UHFFFAOYSA-NSynonyms
5(4CHLORO3(TRIFLUOROMETHYL)PHENYL)3A6ADIHYDRO3HPYRROLO(34C)PYRAZOLE46DIONE
5(4chloro3(trifluoromethyl)phenyl)3a6adihydropyrrolo(34c)pyrazole46(3H5H)dione
C1C2C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(F)(F)F)N=N1
InChI=1SC12H7ClF3N3O2c138215(37(8)12(1415)16)1910(20)6417189(6)11(19)21h1369H4H2
MFCD02945360
ZINC000005242988
ZINC000101310306
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