Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK554689
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)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 C22H18N4O6 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O6/c1-11(27)19-17-18(20-14-6-4-3-5-12(14)10-23-25(19)20)22(29)24(21(17)28)15-9-13(26(30)31)7-8-16(15)32-2/h3-10,17-20H,1-2H3/t17-,18+,19-,20-/m1/s1InChIKey
XFAYNBZCTHYGMB-IYWMVGAKSA-NSynonyms
1013749-65-9(8S8aR11aS11bS)8acetyl10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1013749659
CC(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=CC(=C5)(N+)(=O)(O))OC
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)C)N=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC22H18N4O6c111(27)191718(2014643512(14)102325(19)20)22(29)24(21(17)28)15913(26(30)31)7816(15)322h3101720H12H3t1718+1920m1s1
MFCD18242819
ZINC000017822636
ZINC17822636
Check stock
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Check stock on Vitas-MAvailable files
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