Vitas-M small molecule compound
(4bR,7aS,8R)-6-(3-fluorophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK553192
SMILES Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1
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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 C22H16FN3O3 MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O3/c23-14-8-4-9-15(12-14)25-21(28)17-16-10-5-11-24-26(16)19(18(17)22(25)29)20(27)13-6-2-1-3-7-13/h1-12,16-19H/t16?,17-,18-,19+/m0/s1InChIKey
ZKOQVUQLVHGFEE-HRVKUGKESA-NSynonyms
1212445-64-1(3aS4R9bR)4benzoyl2(3fluorophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)6(3fluorophenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)8benzoyl6(3fluorophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212445641
C1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)F
Fc1cccc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1C2C=CC=N1)C(=O)c1ccccc1
InChI=1SC22H16FN3O3c231484915(1214)2521(28)1716105112426(16)19(18(17)22(25)29)20(27)136213713h1121619Ht16?171819+m0s1
MFCD18242701
ZINC000016038467
ZINC000017951813
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