Vitas-M small molecule compound

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

Catalog ID
STK550452
SMILES COc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccccc1)OC

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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 C24H21N3O5 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5/c1-31-15-10-11-18(32-2)17(13-15)26-23(29)19-16-9-6-12-25-27(16)21(20(19)24(26)30)22(28)14-7-4-3-5-8-14/h3-13,16,19-21H,1-2H3/t16-,19-,20-,21+/m1/s1
InChIKey
LRYCHFPKSHAHJE-OTNPHJDUSA-N
Synonyms
1014103-78-6
(3aR4S9aR9bS)4benzoyl2(25dimethoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6(25dimethoxyphenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8benzoyl6(25dimethoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014103786
COC1=CC(=C(C=C1)OC)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=CC=C5
COc1ccc(c(c1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=CC=N1)C(=O)c1ccccc1)OC
InChI=1SC24H21N3O5c13115101118(322)17(1315)2623(29)191696122527(16)21(20(19)24(26)30)22(28)147435814h313161921H12H3t16192021+m1s1
MFCD18242524
ZINC000009427502
ZINC09427502
ZINC9427502

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.