Vitas-M small molecule compound
(8R,8aS,11aR)-10-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK552414
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)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 C27H19Cl2N3O4 MW 520.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Cl2N3O4/c1-36-17-9-6-14(7-10-17)25(33)24-22-21(23-18-5-3-2-4-15(18)13-30-32(23)24)26(34)31(27(22)35)20-11-8-16(28)12-19(20)29/h2-13,21-24H,1H3/t21-,22+,23?,24-/m1/s1InChIKey
CPBUKHACLUUXHH-MBDJBHLASA-NSynonyms
1014060-81-1(8R8aS11aR)10(24dichlorophenyl)8((4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)10(24dichlorophenyl)8(4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014060811
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=C(C=C(C=C6)Cl)Cl
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)cccc3
InChI=1SC27H19Cl2N3O4c136179614(71017)25(33)242221(2318532415(18)133032(23)24)26(34)31(27(22)35)2011816(28)1219(20)29h2132124H1H3t2122+23?24m1s1
MFCD18242648
ZINC000100983186
ZINC000100983191
Check stock
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Check stock on Vitas-MAvailable files
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