Vitas-M small molecule compound
methyl 2-[(8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Catalog ID
STK555997
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-26(2,3)22(30)21-19-18(20-15-10-6-5-9-14(15)13-27-29(20)21)23(31)28(24(19)32)17-12-8-7-11-16(17)25(33)34-4/h5-13,18-21H,1-4H3/t18-,19+,20+,21-/m0/s1InChIKey
VWYSPLKAONQQSG-BQJUDKOJSA-NSynonyms
1013748-29-21013748292
CC(C)(C)C(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC=C5C(=O)OC
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)C(C)(C)C)N=Cc2c1cccc2
InChI=1SC26H25N3O5c126(23)22(30)211918(20151065914(15)132729(20)21)23(31)28(24(19)32)1712871116(17)25(33)344h5131821H14H3t1819+20+21m0s1
methyl2((8S8aR11aS11bS)8(22dimethylpropanoyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)benzoate
methyl2((8S8aR11aS11bS)911dioxo8pivaloyl8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)benzoate
MFCD18242908
ZINC000015974876
ZINC15974876
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.