Vitas-M small molecule compound

(4bR,7aS,8R)-6-(2-methoxyphenyl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

Catalog ID
STK550501
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1OC

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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/c1-31-15-11-9-14(10-12-15)22(28)21-20-19(17-7-5-13-25-27(17)21)23(29)26(24(20)30)16-6-3-4-8-18(16)32-2/h3-13,17,19-21H,1-2H3/t17?,19-,20-,21+/m0/s1
InChIKey
XYJHJKBRXBIALT-VAJWBBEOSA-N
Synonyms
1013793-54-8
(3aS4R9bR)4(4methoxybenzoyl)2(2methoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)6(2methoxyphenyl)8((4methoxyphenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)8(4methoxybenzoyl)6(2methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013793548
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC
COc1ccc(cc1)C(=O)(C@@H)1N2N=CC=CC2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccccc1OC
InChI=1SC24H21N3O5c1311511914(101215)22(28)212019(1775132527(17)21)23(29)26(24(20)30)16634818(16)322h313171921H12H3t17?192021+m0s1
MFCD18242526
ZINC000009428184
ZINC000016038537

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Available files

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