Vitas-M small molecule compound

(8R,8aS,11aR)-10-(4-butoxyphenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione

Catalog ID
STK552811
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)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 C31H29N3O5 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5/c1-3-4-17-39-23-15-11-21(12-16-23)33-30(36)25-26(31(33)37)28(29(35)19-9-13-22(38-2)14-10-19)34-27(25)24-8-6-5-7-20(24)18-32-34/h5-16,18,25-28H,3-4,17H2,1-2H3/t25-,26+,27?,28-/m1/s1
InChIKey
RMZOVKYQJRFFGM-FVOJZJPKSA-N
Synonyms
1014082-05-3
(8R8aS11aR)10(4butoxyphenyl)8((4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)10(4butoxyphenyl)8(4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014082053
CCCCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)OC
CCCCOc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)OC
InChI=1SC31H29N3O5c134173923151121(121623)3330(36)2526(31(33)37)28(29(35)1991322(382)141019)3427(25)24865720(24)183234h516182528H3417H212H3t2526+27?28m1s1
MFCD18242673
ZINC000100958437
ZINC000100958443

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.