Vitas-M small molecule compound
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK010104
SMILES COc1cc(CCN2C(O)C3=C(C2=O)CCCC3)ccc1OC
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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 C18H23NO4 MW 317.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO4/c1-22-15-8-7-12(11-16(15)23-2)9-10-19-17(20)13-5-3-4-6-14(13)18(19)21/h7-8,11,17,20H,3-6,9-10H2,1-2H3InChIKey
GPOQAEJTDMXKKB-UHFFFAOYSA-NSynonyms
2(2(34dimethoxyphenyl)ethyl)3hydroxy234567hexahydro1Hisoindol1one
2(2(34dimethoxyphenyl)ethyl)3hydroxy4567tetrahydro3Hisoindol1one
COC1=C(C=C(C=C1)CCN2C(C3=C(C2=O)CCCC3)O)OC
COc1cc(CCN2C(O)C3=C(C2=O)CCCC3)ccc1OC
InChI=1SC18H23NO4c122158712(1116(15)232)9101917(20)13534614(13)18(19)21h78111720H36910H212H3
MFCD09152782
STK010104
ZINC000008209512
ZINC000008209515
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