Vitas-M small molecule compound
(8R,8aS,11aR)-10-(2,3-dihydro-1,4-benzodioxin-6-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
STK553389
SMILES O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-26(2,3)23(30)22-20-19(21-16-7-5-4-6-14(16)13-27-29(21)22)24(31)28(25(20)32)15-8-9-17-18(12-15)34-11-10-33-17/h4-9,12-13,19-22H,10-11H2,1-3H3/t19-,20+,21?,22-/m1/s1InChIKey
HAAZTIKTICXTST-IUPYZPJSSA-NSynonyms
1014102-24-9(8R8aS11aR)10(23dihydro14benzodioxin6yl)8(22dimethylpropanoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)10(23dihydrobenzo(b)(14)dioxin6yl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014102249
CC(C)(C)C(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC6=C(C=C5)OCCO6
InChI=1SC26H25N3O5c126(23)23(30)222019(2116754614(16)132729(21)22)24(31)28(25(20)32)15891718(1215)3411103317h4912131922H1011H213H3t1920+21?22m1s1
MFCD18242715
O=C1N(c2ccc3c(c2)OCCO3)C(=O)(C@@H)2(C@H)1(C@@H)(N1C2c2ccccc2C=N1)C(=O)C(C)(C)C
ZINC000009461014
ZINC000018158390
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.