Vitas-M small molecule compound
2-amino-4-(2,3,4-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STL232629
SMILES COc1ccc(c(c1OC)OC)c1c2CCCCCCc2nc(c1C#N)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 C21H25N3O3 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3/c1-25-17-11-10-14(19(26-2)20(17)27-3)18-13-8-6-4-5-7-9-16(13)24-21(23)15(18)12-22/h10-11H,4-9H2,1-3H3,(H2,23,24)InChIKey
ALEYAEHJEAZORC-UHFFFAOYSA-NSynonyms
642005-35-42amino4(234trimethoxyphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
642005354
COC1=C(C(=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)OC)OC
InChI=1SC21H25N3O3c12517111014(19(262)20(17)273)181386457916(13)2421(23)15(18)1222h1011H49H213H3(H22324)
MFCD04006415
ZINC000034849550
ZINC34849550
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