Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK542908
SMILES COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1
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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 C29H22N2O6 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O6/c1-35-19-10-6-17(7-11-19)27(32)26-25-24(21-12-8-16-4-2-3-5-20(16)31(21)26)28(33)30(29(25)34)18-9-13-22-23(14-18)37-15-36-22/h2-14,21,24-26H,15H2,1H3/t21-,24-,25-,26+/m1/s1InChIKey
NNPLUYXTLIUIBS-MYCYEZBNSA-NSynonyms
956157-92-9(6aR6bS9aR10S)8(13benzodioxol5yl)10((4methoxyphenyl)carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(benzo(d)(13)dioxol5yl)10(4methoxybenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956157929
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7
COc1ccc(cc1)C(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1
InChI=1SC29H22N2O6c1351910617(71119)27(32)262524(2112816423520(16)31(21)26)28(33)30(29(25)34)189132223(1418)37153622h214212426H15H21H3t21242526+m1s1
MFCD18242034
ZINC000036001026
ZINC36001026
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.