Vitas-M small molecule compound
ethyl (8S,8aR,11aS,11bS)-9,11-dioxo-10-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Catalog ID
STK537560
SMILES CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1cccc(c1)C(F)(F)F
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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 C23H18F3N3O4 MW 457.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18F3N3O4/c1-2-33-22(32)19-17-16(18-15-9-4-3-6-12(15)11-27-29(18)19)20(30)28(21(17)31)14-8-5-7-13(10-14)23(24,25)26/h3-11,16-19H,2H2,1H3/t16-,17+,18+,19-/m0/s1InChIKey
BFGRWIBSIOAJLZ-MANSERQUSA-NSynonyms
(8S8aR11aS11bS)ethyl911dioxo10(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxylate
CCOC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1N=Cc1c2cccc1)c1cccc(c1)C(F)(F)F
CCOC(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC(=C5)C(F)(F)F
ethyl(8S8aR11aS11bS)911dioxo10(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxylate
InChI=1SC23H18F3N3O4c123322(32)191716(1815943612(15)112729(18)19)20(30)28(21(17)31)1485713(1014)23(2425)26h3111619H2H21H3t1617+18+19m0s1
MFCD18241691
ZINC000016034862
ZINC16034862
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