Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK545807
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)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 C27H20ClN3O4 MW 485.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O4/c1-35-19-12-10-18(11-13-19)30-26(33)21-22(27(30)34)24(25(32)15-6-8-17(28)9-7-15)31-23(21)20-5-3-2-4-16(20)14-29-31/h2-14,21-24H,1H3/t21-,22+,23?,24-/m0/s1InChIKey
UUBOYYYPLWFROF-UZLDWMDBSA-NSynonyms
1014080-16-0(8S8aR11aS)8((4chlorophenyl)carbonyl)10(4methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(4methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014080160
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)Cl
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2
InChI=1SC27H20ClN3O4c13519121018(111319)3026(33)2122(27(30)34)24(25(32)156817(28)9715)3123(21)20532416(20)142931h2142124H1H3t2122+23?24m0s1
MFCD18242242
ZINC000009359911
ZINC000016038152
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.