Vitas-M small molecule compound

(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methyl-4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

Catalog ID
STK555120
SMILES Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[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/c1-12-11-15(28(32)33)8-9-16(12)26-22(30)18-17-3-2-10-25-27(17)20(19(18)23(26)31)21(29)13-4-6-14(24)7-5-13/h2-11,17-20H,1H3/t17-,18-,19-,20+/m1/s1
InChIKey
DGYSWVQUMJOIOE-WTGUMLROSA-N
Synonyms
1014081-85-6
(3aR4S9aR9bS)4(4fluorobenzoyl)2(2methyl4nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((4fluorophenyl)carbonyl)6(2methyl4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(4fluorobenzoyl)6(2methyl4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014081856
CC1=C(C=CC(=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)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC23H17FN4O5c1121115(28(32)33)8916(12)2622(30)181732102527(17)20(19(18)23(26)31)21(29)134614(24)7513h2111720H1H3t17181920+m1s1
MFCD18242841
ZINC000013752020
ZINC13752020

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Available files

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