Vitas-M small molecule compound
3-[2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-2,3-dihydro-1H-isoindol-1-one
Catalog ID
STK287930
SMILES COc1ccc(c(c1)c1[nH]c2c(c1C1c3ccccc3C(=O)N1C13CC4CC(C3)CC(C1)C4)cccc2)OC
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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 C34H34N2O3 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O3/c1-38-23-11-12-29(39-2)27(16-23)31-30(26-9-5-6-10-28(26)35-31)32-24-7-3-4-8-25(24)33(37)36(32)34-17-20-13-21(18-34)15-22(14-20)19-34/h3-12,16,20-22,32,35H,13-15,17-19H2,1-2H3InChIKey
BBXSHBPWSODGEG-UHFFFAOYSA-NSynonyms
2(1adamantyl)3(2(25dimethoxyphenyl)1Hindol3yl)3Hisoindol1one
3(2(25dimethoxyphenyl)1Hindol3yl)2(tricyclo(3311~37~)dec1yl)23dihydro1Hisoindol1one
COC1=CC(=C(C=C1)OC)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4C67CC8CC(C6)CC(C8)C7
COc1ccc(c(c1)c1(nH)c2c(c1C1c3ccccc3C(=O)N1C13CC4CC(C3)CC(C1)C4)cccc2)OC
InChI=1SC34H34N2O3c13823111229(392)27(1623)3130(269561028(26)3531)3224734825(24)33(37)36(32)3417201321(1834)1522(1420)1934h3121620223235H13151719H212H3
MFCD09271125
ZINC000013943835
ZINC000013943838
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