Vitas-M small molecule compound

3-amino-1,1-dimethoxy-4-(4-methoxyphenyl)-5,6,7,8-tetrahydrocyclopenta[b]pyrrolo[3,4-d]pyridine-3a,8b(1H,4H)-dicarbonitrile

Catalog ID
STK552039
SMILES COc1ccc(cc1)C1NC2=C(C3(C1(C#N)C(=NC3(OC)OC)N)C#N)CCC2

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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 C21H23N5O3 MW 393.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3/c1-27-14-9-7-13(8-10-14)17-19(11-22)18(24)26-21(28-2,29-3)20(19,12-23)15-5-4-6-16(15)25-17/h7-10,17,25H,4-6H2,1-3H3,(H2,24,26)
InChIKey
NZFBQAOSXCDGTK-UHFFFAOYSA-N
Synonyms
1166390-69-7
1166390697
3amino11dimethoxy4(4methoxyphenyl)13a456788boctahydrocyclopenta(b)pyrrolo(34d)pyridine3a8bdicarbonitrile
3amino11dimethoxy4(4methoxyphenyl)5678tetrahydrocyclopenta(b)pyrrolo(34d)pyridine3a8b(1H4H)dicarbonitrile
COC1=CC=C(C=C1)C2C3(C(=NC(C3(C4=C(N2)CCC4)C#N)(OC)OC)N)C#N
InChI=1SC21H23N5O3c127149713(81014)1719(1122)18(24)2621(282293)20(191223)1554616(15)2517h7101725H46H213H3(H22426)
MFCD03692913
ZINC000002254959
ZINC000239377475

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Available files

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