Vitas-M small molecule compound
(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK550412
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)cccc3
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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 C27H21N3O4 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4/c1-34-19-13-11-16(12-14-19)25(31)24-22-21(23-20-10-6-5-7-17(20)15-28-30(23)24)26(32)29(27(22)33)18-8-3-2-4-9-18/h2-15,21-24H,1H3/t21-,22+,23?,24-/m1/s1InChIKey
LLKWBMLQXGVDFS-MBDJBHLASA-NSynonyms
1212447-60-3(8R8aS11aR)8((4methoxyphenyl)carbonyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)8(4methoxybenzoyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1212447603
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccccc1)cccc3
InChI=1SC27H21N3O4c13419131116(121419)25(31)242221(23201065717(20)152830(23)24)26(32)29(27(22)33)188324918h2152124H1H3t2122+23?24m1s1
MFCD18242518
ZINC000009076080
ZINC000018113686
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