Vitas-M small molecule compound

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

Catalog ID
STK557793
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1

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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 C25H23N3O6 MW 461.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6/c1-32-16-9-7-15(8-10-16)27-24(30)20-17-5-4-12-26-28(17)22(21(20)25(27)31)23(29)14-6-11-18(33-2)19(13-14)34-3/h4-13,17,20-22H,1-3H3/t17-,20-,21-,22+/m1/s1
InChIKey
YWPLDIAVSHVNRR-CIQXWFTPSA-N
Synonyms
1013793-39-9
(3aR4S9aR9bS)4(34dimethoxybenzoyl)2(4methoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((34dimethoxyphenyl)carbonyl)6(4methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(34dimethoxybenzoyl)6(4methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013793399
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=C(C=C5)OC)OC
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1
InChI=1SC25H23N3O6c132169715(81016)2724(30)201754122628(17)22(21(20)25(27)31)23(29)1461118(332)19(1314)343h413172022H13H3t17202122+m1s1
MFCD18243032
ZINC000008768177
ZINC08768177
ZINC8768177

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Available files

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