Vitas-M small molecule compound
(4bR,7aS,8R)-8-[(4-methoxyphenyl)carbonyl]-6-(4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK550425
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[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 C23H18N4O6 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O6/c1-33-16-10-4-13(5-11-16)21(28)20-19-18(17-3-2-12-24-26(17)20)22(29)25(23(19)30)14-6-8-15(9-7-14)27(31)32/h2-12,17-20H,1H3/t17?,18-,19-,20+/m0/s1InChIKey
UREIMRHCAAQQFO-SEBOWIOWSA-NSynonyms
1014061-92-7(3aS4R9bR)4(4methoxybenzoyl)2(4nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)8((4methoxyphenyl)carbonyl)6(4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)8(4methoxybenzoyl)6(4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014061927
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)C(=O)(C@@H)1N2N=CC=CC2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H18N4O6c1331610413(51116)21(28)201918(1732122426(17)20)22(29)25(23(19)30)146815(9714)27(31)32h2121720H1H3t17?181920+m0s1
MFCD18242519
ZINC000009428488
ZINC000018030731
Check stock
See real-time availability and sample size for STK550425 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.