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butyl 4-[(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)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
STK555647
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)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 C29H29N3O7 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O7/c1-4-5-15-39-29(36)17-8-11-19(12-9-17)31-27(34)23-20-7-6-14-30-32(20)25(24(23)28(31)35)26(33)18-10-13-21(37-2)22(16-18)38-3/h6-14,16,20,23-25H,4-5,15H2,1-3H3/t20-,23-,24-,25+/m1/s1
InChIKey
IQRWDUBMTZPONR-HVHOJJEHSA-N
Synonyms
1014102-20-5
1014102205
butyl4((3aR4S9aR9bS)4(34dimethoxybenzoyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)benzoate
butyl4((4aR4bS7aR8S)8((34dimethoxyphenyl)carbonyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
butyl4((4aR4bS7aR8S)8(34dimethoxybenzoyl)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)OC
CCCCOC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1
InChI=1SC29H29N3O7c145153929(36)1781119(12917)3127(34)232076143032(20)25(24(23)28(31)35)26(33)18101321(372)22(1618)383h61416202325H4515H213H3t20232425+m1s1
MFCD18242881
ZINC000101039231
ZINC101039231

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Available files

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