Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-cyclohexyl-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK557748
SMILES Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=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 C22H22FN3O3 MW 395.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O3/c23-14-10-8-13(9-11-14)20(27)19-18-17(16-7-4-12-24-26(16)19)21(28)25(22(18)29)15-5-2-1-3-6-15/h4,7-12,15-19H,1-3,5-6H2/t16-,17-,18-,19+/m1/s1InChIKey
VKFSIDCGJKBWPB-MKXGPGLRSA-NSynonyms
1212466-53-9(3aR4S9aR9bS)2cyclohexyl4(4fluorobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6cyclohexyl8((4fluorophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)6cyclohexyl8(4fluorobenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212466539
C1CCC(CC1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
InChI=1SC22H22FN3O3c231410813(91114)20(27)191817(1674122426(16)19)21(28)25(22(18)29)155213615h47121519H1356H2t16171819+m1s1
MFCD18243028
ZINC000005092510
ZINC05092510
ZINC5092510
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