Vitas-M small molecule compound
10-(2-methoxy-5-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STL237530
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccccc2)N=Cc2c1cccc2)[N+](=O)[O-]
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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 C27H20N4O6 MW 496.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O6/c1-37-20-12-11-17(31(35)36)13-19(20)29-26(33)21-22(27(29)34)24(25(32)15-7-3-2-4-8-15)30-23(21)18-10-6-5-9-16(18)14-28-30/h2-14,21-24H,1H3InChIKey
DXSAHCHJDKAGLU-UHFFFAOYSA-NSynonyms
(8S8aR11aS11bS)8benzoyl10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
10(2methoxy5nitrophenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccccc2)N=Cc2c1cccc2)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccccc2)N=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC27H20N4O6c13720121117(31(35)36)1319(20)2926(33)2122(27(29)34)24(25(32)157324815)3023(21)181065916(18)142830h2142124H1H3
MFCD07197639
ZINC000009329674
ZINC000248121418
Check stock
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Check stock on Vitas-MAvailable files
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