Vitas-M small molecule compound
(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-(2-methyl-4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK551945
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])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 C28H22N4O6 MW 510.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O6/c1-15-13-18(32(36)37)9-12-21(15)30-27(34)22-23(28(30)35)25(26(33)16-7-10-19(38-2)11-8-16)31-24(22)20-6-4-3-5-17(20)14-29-31/h3-14,22-25H,1-2H3/t22-,23+,24?,25-/m1/s1InChIKey
LJGVDAQGRCKZFB-DVMHTGGUSA-NSynonyms
1013749-33-1(8R8aS11aR)8((4methoxyphenyl)carbonyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)8(4methoxybenzoyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1013749331
CC1=C(C=CC(=C1)(N+)(=O)(O))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(cc1C)(N+)(=O)(O))cccc3
InChI=1SC28H22N4O6c1151318(32(36)37)91221(15)3027(34)2223(28(30)35)25(26(33)1671019(382)11816)3124(22)20643517(20)142931h3142225H12H3t2223+24?25m1s1
MFCD18242617
ZINC000100974696
ZINC000100974698
Check stock
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Check stock on Vitas-MAvailable files
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