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4-({(4aS,4bR,7aS,8R)-5,7-dioxo-6-[2-(trifluoromethyl)phenyl]-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl}carbonyl)phenyl acetate

Catalog ID
STK557217
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(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 C25H18F3N3O5 MW 497.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F3N3O5/c1-13(32)36-15-10-8-14(9-11-15)22(33)21-20-19(18-7-4-12-29-31(18)21)23(34)30(24(20)35)17-6-3-2-5-16(17)25(26,27)28/h2-12,18-21H,1H3/t18-,19-,20-,21+/m0/s1
InChIKey
HHWNPUAJLUNFAP-XSDIEEQYSA-N
Synonyms
1013792-92-1
(4((3aS4R9aS9bR)13dioxo2(2(trifluoromethyl)phenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1013792921
4(((4aS4bR7aS8R)57dioxo6(2(trifluoromethyl)phenyl)4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)57dioxo6(2(trifluoromethyl)phenyl)4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5C(F)(F)F
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2N=CC=C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccccc1C(F)(F)F
InChI=1SC25H18F3N3O5c113(32)361510814(91115)22(33)212019(1874122931(18)21)23(34)30(24(20)35)17632516(17)25(2627)28h2121821H1H3t18192021+m0s1
MFCD18242988
ZINC000018155112
ZINC18155112

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Available files

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