Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(4-methoxyphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK535867
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)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 C27H21N3O4 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4/c1-34-19-13-11-18(12-14-19)29-26(32)21-22(27(29)33)24(25(31)16-7-3-2-4-8-16)30-23(21)20-10-6-5-9-17(20)15-28-30/h2-15,21-24H,1H3/t21-,22+,23+,24-/m0/s1InChIKey
FEZVIOIHIITMDI-KEZOAJOQSA-NSynonyms
(8S8aR11aS11bS)10(4methoxyphenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS11bS)8benzoyl10(4methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccccc2)N=Cc2c1cccc2
InChI=1SC27H21N3O4c13419131118(121419)2926(32)2122(27(29)33)24(25(31)167324816)3023(21)201065917(20)152830h2152124H1H3t2122+23+24m0s1
MFCD18241651
ZINC000016034855
ZINC16034855
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