Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK213062
SMILES O=C1C2=C(C(N1Cc1ccc3c(c1)OCO3)c1c[nH]c3c1cccc3)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 C24H22N2O3 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3/c27-24-18-7-2-1-6-17(18)23(19-12-25-20-8-4-3-5-16(19)20)26(24)13-15-9-10-21-22(11-15)29-14-28-21/h3-5,8-12,23,25H,1-2,6-7,13-14H2InChIKey
KWEHFUQPBCDEOV-UHFFFAOYSA-NSynonyms
2(13benzodioxol5ylmethyl)3(1Hindol3yl)234567hexahydro1Hisoindol1one
2(13benzodioxol5ylmethyl)3(1Hindol3yl)4567tetrahydro3Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CNC6=CC=CC=C65
InChI=1SC24H22N2O3c272418721617(18)23(19122520843516(19)20)26(24)13159102122(1115)29142821h358122325H12671314H2
MFCD08680247
O=C1C2=C(C(N1Cc1ccc3c(c1)OCO3)c1c(nH)c3c1cccc3)CCCC2
ZINC000004778866
ZINC000004778867
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