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(4bR,7aS,8R)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

Catalog ID
STK550748
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

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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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-32-16-7-4-14(5-8-16)23(29)22-21-20(17-3-2-10-26-28(17)22)24(30)27(25(21)31)15-6-9-18-19(13-15)34-12-11-33-18/h2-10,13,17,20-22H,11-12H2,1H3/t17?,20-,21-,22+/m0/s1
InChIKey
GKJAFZSRTUSKNQ-YFBRYZHBSA-N
Synonyms
1014061-17-6
(3aS4R9bR)2(23dihydro14benzodioxin6yl)4(4methoxybenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)6(23dihydro14benzodioxin6yl)8((4methoxyphenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)6(23dihydrobenzo(b)(14)dioxin6yl)8(4methoxybenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014061176
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC6=C(C=C5)OCCO6
COc1ccc(cc1)C(=O)(C@@H)1N2N=CC=CC2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC25H21N3O6c132167414(5816)23(29)222120(1732102628(17)22)24(30)27(25(21)31)15691819(1315)3412113318h21013172022H1112H21H3t17?202122+m0s1
MFCD18242542
ZINC000009428430
ZINC000018120019

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Available files

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