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methyl 4,5-dimethyl-2-[(8S,8aR,11aS)-8-[(4-nitrophenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]thiophene-3-carboxylate

Catalog ID
STL053398
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)[N+](=O)[O-])C=Cc2c1cccc2

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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 C29H23N3O7S MW 557.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O7S/c1-14-15(2)40-28(20(14)29(36)39-3)31-26(34)21-22(27(31)35)24(25(33)17-8-10-18(11-9-17)32(37)38)30-13-12-16-6-4-5-7-19(16)23(21)30/h4-13,21-24H,1-3H3/t21-,22+,23?,24-/m0/s1
InChIKey
BEEMOXPCOZCOQX-UZLDWMDBSA-N
Synonyms
1246037-68-2
1246037682
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)(N+)(=O)(O))C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)(N+)(=O)(O))C=Cc2c1cccc2
InChI=1SC29H23N3O7Sc11415(2)4028(20(14)29(36)393)3126(34)2122(27(31)35)24(25(33)1781018(11917)32(37)38)30131216645719(16)23(21)30h4132124H13H3t2122+23?24m0s1
methyl45dimethyl2((8S8aR11aS)8((4nitrophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)thiophene3carboxylate
methyl45dimethyl2((8S8aR11aS)8(4nitrobenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)thiophene3carboxylate
MFCD18192724
ZINC000101670402
ZINC000101670405

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Available files

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