Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK557691
SMILES Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[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 C23H17FN4O5 MW 448.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN4O5/c1-12-4-9-15(28(32)33)11-17(12)26-22(30)18-16-3-2-10-25-27(16)20(19(18)23(26)31)21(29)13-5-7-14(24)8-6-13/h2-11,16,18-20H,1H3/t16-,18-,19-,20+/m1/s1InChIKey
JYQKECMMEZRDPQ-AFYVEPGGSA-NSynonyms
1013987-18-2(3aR4S9aR9bS)4(4fluorobenzoyl)2(2methyl5nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((4fluorophenyl)carbonyl)6(2methyl5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(4fluorobenzoyl)6(2methyl5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013987182
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
Fc1ccc(cc1)C(=O)(C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O)
InChI=1SC23H17FN4O5c1124915(28(32)33)1117(12)2622(30)181632102527(16)20(19(18)23(26)31)21(29)135714(24)8613h211161820H1H3t16181920+m1s1
MFCD18243021
ZINC000009312298
ZINC09312298
ZINC9312298
Check stock
See real-time availability and sample size for STK557691 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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