Vitas-M small molecule compound

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

Catalog ID
STK558304
SMILES COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C

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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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-14-7-9-17(15(2)12-14)28-25(31)21-18-6-5-11-27-29(18)23(22(21)26(28)32)24(30)16-8-10-19(33-3)20(13-16)34-4/h5-13,18,21-23H,1-4H3/t18-,21-,22-,23+/m1/s1
InChIKey
CIVAEFSGOCMDES-HWHRFOGPSA-N
Synonyms
1014101-01-9
(3aR4S9aR9bS)4(34dimethoxybenzoyl)2(24dimethylphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((34dimethoxyphenyl)carbonyl)6(24dimethylphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(34dimethoxybenzoyl)6(24dimethylphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014101019
CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=C(C=C5)OC)OC)C
COc1cc(ccc1OC)C(=O)(C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1C)C
InChI=1SC26H25N3O5c1147917(15(2)1214)2825(31)211865112729(18)23(22(21)26(28)32)24(30)1681019(333)20(1316)344h513182123H14H3t18212223+m1s1
MFCD18243075
ZINC000009190751
ZINC09190751
ZINC9190751

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Available files

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