Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(4-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK557514
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1
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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 C23H18FN3O4 MW 419.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3O4/c1-31-16-10-8-15(9-11-16)26-22(29)18-17-3-2-12-25-27(17)20(19(18)23(26)30)21(28)13-4-6-14(24)7-5-13/h2-12,17-20H,1H3/t17-,18-,19-,20+/m1/s1InChIKey
UXLKSGOQHXNQFP-WTGUMLROSA-NSynonyms
1013793-13-9(3aR4S9aR9bS)4(4fluorobenzoyl)2(4methoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((4fluorophenyl)carbonyl)6(4methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(4fluorobenzoyl)6(4methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013793139
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(cc2)F)N=CC=C1
InChI=1SC23H18FN3O4c1311610815(91116)2622(29)181732122527(17)20(19(18)23(26)30)21(28)134614(24)7513h2121720H1H3t17181920+m1s1
MFCD18243007
ZINC000009424705
ZINC09424705
ZINC9424705
Check stock
See real-time availability and sample size for STK557514 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.