Vitas-M small molecule compound
(8S,8aR,11aS)-10-(2,4-dimethylphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK547381
SMILES Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)C1N([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 C28H23N3O3 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3/c1-16-12-13-21(17(2)14-16)30-27(33)22-23(28(30)34)25(26(32)18-8-4-3-5-9-18)31-24(22)20-11-7-6-10-19(20)15-29-31/h3-15,22-25H,1-2H3/t22-,23+,24?,25-/m0/s1InChIKey
HRPIQHHGZGFEOE-NPZNXQLHSA-NSynonyms
1014102-30-7(8S8aR11aS)10(24dimethylphenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8benzoyl10(24dimethylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014102307
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6)C
Cc1ccc(c(c1)C)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccccc2)N=Cc2c1cccc2
InChI=1SC28H23N3O3c116121321(17(2)1416)3027(33)2223(28(30)34)25(26(32)188435918)3124(22)2011761019(20)152931h3152225H12H3t2223+24?25m0s1
MFCD18242341
ZINC000009411298
ZINC000018086158
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