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4-{[(4aS,4bR,7aS,8R)-6-(2,4-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
STK556191
SMILES COc1cc(OC)ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

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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(19-5-4-12-27-29(19)23)25(32)28(26(22)33)18-11-10-17(34-2)13-20(18)35-3/h4-13,19,21-23H,1-3H3/t19-,21-,22-,23+/m0/s1
InChIKey
ITSGWSJUTRUJNM-XXTHSBEZSA-N
Synonyms
1013750-74-7
(4((3aS4R9aS9bR)2(24dimethoxyphenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1013750747
4(((4aS4bR7aS8R)6(24dimethoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(24dimethoxyphenyl)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=C(C=C5)OC)OC
COc1cc(OC)ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1
InChI=1SC26H23N3O7c114(30)36168615(7916)24(31)232221(1954122729(19)23)25(32)28(26(22)33)18111017(342)1320(18)353h413192123H13H3t19212223+m0s1
MFCD18242922
ZINC000018090941
ZINC18090941

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Available files

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