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4-{[(4aS,4bR,7aS,8R)-6-(2,5-dimethoxyphenyl)-5,7-dioxo-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
STK556732
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)OC

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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 C26H23N3O7 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O7/c1-14(30)36-16-8-6-15(7-9-16)24(31)23-22-21(18-5-4-12-27-29(18)23)25(32)28(26(22)33)19-13-17(34-2)10-11-20(19)35-3/h4-13,18,21-23H,1-3H3/t18-,21-,22-,23+/m0/s1
InChIKey
FYWRIQRPPVMDRQ-FDTGPBLFSA-N
Synonyms
1212456-70-6
(4((3aS4R9aS9bR)2(25dimethoxyphenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1212456706
4(((4aS4bR7aS8R)6(25dimethoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(25dimethoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=C(C=CC(=C5)OC)OC
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)OC
InChI=1SC26H23N3O7c114(30)36168615(7916)24(31)232221(1854122729(18)23)25(32)28(26(22)33)191317(342)101120(19)353h413182123H13H3t18212223+m0s1
MFCD18242962
ZINC000018189014
ZINC18189014

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Available files

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