Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-3-(1,2-dimethyl-1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK213059
SMILES O=C1C2=C(C(N1Cc1ccc3c(c1)OCO3)c1c(C)n(c3c1cccc3)C)CCCC2
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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 C26H26N2O3 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3/c1-16-24(20-9-5-6-10-21(20)27(16)2)25-18-7-3-4-8-19(18)26(29)28(25)14-17-11-12-22-23(13-17)31-15-30-22/h5-6,9-13,25H,3-4,7-8,14-15H2,1-2H3InChIKey
OFLIIDLKTOBXOU-UHFFFAOYSA-NSynonyms
2(13benzodioxol5ylmethyl)3(12dimethyl1Hindol3yl)234567hexahydro1Hisoindol1one
2(13benzodioxol5ylmethyl)3(12dimethylindol3yl)4567tetrahydro3Hisoindol1one
CC1=C(C2=CC=CC=C2N1C)C3C4=C(CCCC4)C(=O)N3CC5=CC6=C(C=C5)OCO6
InChI=1SC26H26N2O3c11624(209561021(20)27(16)2)2518734819(18)26(29)28(25)141711122223(1317)31153022h5691325H34781415H212H3
MFCD08680244
ZINC000004747645
ZINC000004747648
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