Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(2,5-dimethoxyphenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK550391
SMILES COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2)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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-27(2,3)24(30)23-21-20(22-17-9-7-6-8-15(17)12-13-28(22)23)25(31)29(26(21)32)18-14-16(33-4)10-11-19(18)34-5/h6-14,20-23H,1-5H3/t20-,21+,22+,23-/m0/s1InChIKey
QVXXJVBSOVGTHV-AFXVXQJMSA-NSynonyms
1013748-54-3(8S8aR11aS11bS)10(25dimethoxyphenyl)8(22dimethylpropanoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)10(25dimethoxyphenyl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013748543
CC(C)(C)C(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=CC(=C5)OC)OC
COc1ccc(c(c1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)C(C)(C)C)C=Cc2c1cccc2)OC
InChI=1SC27H28N2O5c127(23)24(30)232120(2217976815(17)121328(22)23)25(31)29(26(21)32)181416(334)101119(18)345h6142023H15H3t2021+22+23m0s1
MFCD18242517
ZINC000016038876
ZINC16038876
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.