Vitas-M small molecule compound
ethyl (8S,8aR,11aS,11bS)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Catalog ID
STK536176
SMILES CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccccc1
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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 C22H19N3O4 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4/c1-2-29-22(28)19-17-16(18-15-11-7-6-8-13(15)12-23-25(18)19)20(26)24(21(17)27)14-9-4-3-5-10-14/h3-12,16-19H,2H2,1H3/t16-,17+,18+,19-/m0/s1InChIKey
NCIRWXRETVZPAR-MANSERQUSA-NSynonyms
(8S8aR11aS11bS)ethyl911dioxo10phenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxylate
CCOC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1N=Cc1c2cccc1)c1ccccc1
CCOC(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC=C5
ethyl(8S8aR11aS11bS)911dioxo10phenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxylate
InChI=1SC22H19N3O4c122922(28)191716(18151176813(15)122325(18)19)20(26)24(21(17)27)1494351014h3121619H2H21H3t1617+18+19m0s1
MFCD18241658
ZINC000005979819
ZINC05979819
ZINC5979819
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