Vitas-M small molecule compound
4-acetylphenyl (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Catalog ID
STL538090
SMILES O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1)Oc1ccc(cc1)C(=O)C
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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 C30H22N2O7 MW 522.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O7/c1-16(33)17-6-10-20(11-7-17)39-30(36)27-26-25(22-12-8-18-4-2-3-5-21(18)32(22)27)28(34)31(29(26)35)19-9-13-23-24(14-19)38-15-37-23/h2-14,22,25-27H,15H2,1H3/t22-,25-,26-,27+/m0/s1InChIKey
UZSYSIGWKIAMGI-DQTXXJETSA-NSynonyms
956819-57-1(4acetylphenyl)(10~(S)11~(R)15~(S)16~(R))13(13benzodioxol5yl)1214dioxo113diazatetracyclo(8600^(27)0^(1115))hexadeca2468tetraene16carboxylate
(6aS6bR9aS10R)4acetylphenyl8(benzo(d)(13)dioxol5yl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
16397832
4acetylphenyl(6aS6bR9aS10R)8(13benzodioxol5yl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
956819571
InChI=1SC30H22N2O7c116(33)1761020(11717)3930(36)272625(2212818423521(18)32(22)27)28(34)31(29(26)35)199132324(1419)38153723h214222527H15H21H3t22252627+m0s1
MFCD03267485
O=C((C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1)Oc1ccc(cc1)C(=O)C
ZINC000070672777
ZINC70672777
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.