Vitas-M small molecule compound
(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-(4-methylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK551892
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C)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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c1-16-7-11-19(12-8-16)30-27(33)22-23(28(30)34)25(26(32)17-9-13-20(35-2)14-10-17)31-24(22)21-6-4-3-5-18(21)15-29-31/h3-15,22-25H,1-2H3/t22-,23+,24?,25-/m1/s1InChIKey
JTHFYINJUVSTJX-DVMHTGGUSA-NSynonyms
1014101-79-1(8R8aS11aR)8((4methoxyphenyl)carbonyl)10(4methylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)8(4methoxybenzoyl)10(ptolyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014101791
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)C)cccc3
InChI=1SC28H23N3O4c11671119(12816)3027(33)2223(28(30)34)25(26(32)1791320(352)141017)3124(22)21643518(21)152931h3152225H12H3t2223+24?25m1s1
MFCD18242612
ZINC000009122283
ZINC000016038412
Check stock
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Check stock on Vitas-MAvailable files
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