Vitas-M small molecule compound
(8R,8aS,11aR)-10-(1,3-benzodioxol-5-yl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK550367
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@H]2[C@@H]1C1N([C@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2
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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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-25(2,3)22(29)21-19-18(20-15-7-5-4-6-13(15)11-26-28(20)21)23(30)27(24(19)31)14-8-9-16-17(10-14)33-12-32-16/h4-11,18-21H,12H2,1-3H3/t18-,19+,20?,21-/m1/s1InChIKey
YERMDPLMMXQBQO-JGUMPVPUSA-NSynonyms
1014079-85-6(8R8aS11aR)10(13benzodioxol5yl)8(22dimethylpropanoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)10(benzo(d)(13)dioxol5yl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014079856
CC(C)(C)C(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC6=C(C=C5)OCO6
InChI=1SC25H23N3O5c125(23)22(29)211918(2015754613(15)112628(20)21)23(30)27(24(19)31)14891617(1014)33123216h4111821H12H213H3t1819+20?21m1s1
MFCD18242515
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@H)2(C@@H)1C1N((C@H)2C(=O)C(C)(C)C)N=Cc2c1cccc2
ZINC000013715084
ZINC000016039030
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.