Vitas-M small molecule compound
(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK550851
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[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 C27H20N4O6 MW 496.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O6/c1-37-19-11-9-15(10-12-19)25(32)24-22-21(23-20-8-3-2-5-16(20)14-28-30(23)24)26(33)29(27(22)34)17-6-4-7-18(13-17)31(35)36/h2-14,21-24H,1H3/t21-,22+,23?,24-/m1/s1InChIKey
SPXLHZZSXXYQPW-MBDJBHLASA-NSynonyms
1014082-53-1(8R8aS11aR)8((4methoxyphenyl)carbonyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)8(4methoxybenzoyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014082531
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC=C6)(N+)(=O)(O)
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))cccc3
InChI=1SC27H20N4O6c1371911915(101219)25(32)242221(2320832516(20)142830(23)24)26(33)29(27(22)34)1764718(1317)31(35)36h2142124H1H3t2122+23?24m1s1
MFCD18242549
ZINC000009076221
ZINC000018145971
Check stock
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Check stock on Vitas-MAvailable files
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