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butyl 4-[(4aS,4bR,7aS,8R)-8-{[4-(acetyloxy)phenyl]carbonyl}-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate

Catalog ID
STK558573
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=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 C29H27N3O7 MW 529.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O7/c1-3-4-16-38-29(37)19-7-11-20(12-8-19)31-27(35)23-22-6-5-15-30-32(22)25(24(23)28(31)36)26(34)18-9-13-21(14-10-18)39-17(2)33/h5-15,22-25H,3-4,16H2,1-2H3/t22-,23-,24-,25+/m0/s1
InChIKey
NRTHGKVIDOLOJW-OJJQZRKESA-N
Synonyms
1014101-92-8
1014101928
butyl4((3aS4R9aS9bR)4(4acetyloxybenzoyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)benzoate
butyl4((4aS4bR7aS8R)8((4(acetyloxy)phenyl)carbonyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
butyl4((4aS4bR7aS8R)8(4acetoxybenzoyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)OC(=O)C
CCCCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1
InChI=1SC29H27N3O7c134163829(37)1971120(12819)3127(35)232265153032(22)25(24(23)28(31)36)26(34)1891321(141018)3917(2)33h5152225H3416H212H3t22232425+m0s1
MFCD18243098
ZINC000101088474
ZINC101088474

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Available files

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