Vitas-M small molecule compound
(8R,8aS,11aR,11bR)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(4-methylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK613095
SMILES COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C)cccc3
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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 C29H23BrN2O4 MW 543.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O4/c1-16-7-10-19(11-8-16)32-28(34)23-24(29(32)35)26(27(33)18-9-12-22(36-2)21(30)15-18)31-14-13-17-5-3-4-6-20(17)25(23)31/h3-15,23-26H,1-2H3/t23-,24+,25+,26-/m1/s1InChIKey
KQWZCBHZDDWOES-KEVKATSASA-NSynonyms
956816-35-6(8R8aS11aR11bR)8((3bromo4methoxyphenyl)carbonyl)10(4methylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10(ptolyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956816356
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=C(C=C6)OC)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)C)cccc3
InChI=1SC29H23BrN2O4c11671019(11816)3228(34)2324(29(32)35)26(27(33)1891222(362)21(30)1518)31141317534620(17)25(23)31h3152326H12H3t2324+25+26m1s1
MFCD18246289
ZINC000100865853
ZINC100865853
Check stock
See real-time availability and sample size for STK613095 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.