Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK556221
SMILES COc1ccccc1N1C(=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/c1-31-17-7-3-2-5-15(17)26-22(29)18-16-6-4-12-25-27(16)20(19(18)23(26)30)21(28)13-8-10-14(24)11-9-13/h2-12,16,18-20H,1H3/t16-,18-,19-,20+/m1/s1InChIKey
CJOZVQGBOLOOTF-AFYVEPGGSA-NSynonyms
1013794-20-1(3aR4S9aR9bS)4(4fluorobenzoyl)2(2methoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((4fluorophenyl)carbonyl)6(2methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(4fluorobenzoyl)6(2methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013794201
COC1=CC=CC=C1N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
COc1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(cc2)F)N=CC=C1
InChI=1SC23H18FN3O4c13117732515(17)2622(29)181664122527(16)20(19(18)23(26)30)21(28)1381014(24)11913h212161820H1H3t16181920+m1s1
MFCD18242925
ZINC000009459305
ZINC09459305
ZINC9459305
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.