Vitas-M small molecule compound
3-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3aH-spiro[cyclopenta[b]pyrrolo[3,4-d]pyridine-1,2'-[1,3]dioxolane]-3a,8b(4H)-dicarbonitrile
Catalog ID
STL345176
SMILES N#CC12C(=NC3(C2(C#N)C2=C(NC1c1ccc(cc1)OC)CCC2)OCCO3)N
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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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-27-14-7-5-13(6-8-14)17-19(11-22)18(24)26-21(28-9-10-29-21)20(19,12-23)15-3-2-4-16(15)25-17/h5-8,17,25H,2-4,9-10H2,1H3,(H2,24,26)InChIKey
ZSCAYYQXWLJZGW-UHFFFAOYSA-NSynonyms
1164506-09-51164506095
3amino4(4methoxyphenyl)456788bhexahydro3aHspiro(cyclopenta(b)pyrrolo(34d)pyridine12(13)dioxolane)3a8bdicarbonitrile
3amino4(4methoxyphenyl)5678tetrahydro3aHspiro(cyclopenta(b)pyrrolo(34d)pyridine12(13)dioxolane)3a8b(4H)dicarbonitrile
COC1=CC=C(C=C1)C2C3(C(=NC4(C3(C5=C(N2)CCC5)C#N)OCCO4)N)C#N
InChI=1SC21H21N5O3c127147513(6814)1719(1122)18(24)2621(289102921)20(191223)1532416(15)2517h581725H24910H21H3(H22426)
MFCD04185315
ZINC000002408927
ZINC000245313081
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