Vitas-M small molecule compound
(8R,8aS,11aR,11bR)-10-(1,3-benzodioxol-5-yl)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK545403
SMILES COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)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 C29H21BrN2O6 MW 573.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrN2O6/c1-36-20-8-6-16(12-19(20)30)27(33)26-24-23(25-18-5-3-2-4-15(18)10-11-31(25)26)28(34)32(29(24)35)17-7-9-21-22(13-17)38-14-37-21/h2-13,23-26H,14H2,1H3/t23-,24+,25+,26-/m1/s1InChIKey
DQXLVHWFZWGCJO-KEVKATSASA-NSynonyms
(8R8aS11aR11bR)10(13benzodioxol5yl)8((3bromo4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)10(benzo(d)(13)dioxol5yl)8(3bromo4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC29H21BrN2O6c136208616(1219(20)30)27(33)262423(2518532415(18)101131(25)26)28(34)32(29(24)35)17792122(1317)38143721h2132326H14H21H3t2324+25+26m1s1
MFCD18242215
ZINC000102441348
ZINC102441348
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.