Vitas-M small molecule compound
propan-2-yl {1-[2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]-3-oxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl}acetate
Catalog ID
STK213078
SMILES COc1ccc(cc1c1[nH]c2c(c1C1N(CC(=O)OC(C)C)C(=O)C3=C1CCCC3)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 C29H32N2O5 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5/c1-17(2)36-25(32)16-31-28(19-9-5-6-10-20(19)29(31)33)26-21-11-7-8-12-23(21)30-27(26)22-15-18(34-3)13-14-24(22)35-4/h7-8,11-15,17,28,30H,5-6,9-10,16H2,1-4H3InChIKey
UMPFXWBRHWXZNT-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)CN1C(C2=C(C1=O)CCCC2)C3=C(NC4=CC=CC=C43)C5=C(C=CC(=C5)OC)OC
COc1ccc(cc1c1(nH)c2c(c1C1N(CC(=O)OC(C)C)C(=O)C3=C1CCCC3)cccc2)OC
InChI=1SC29H32N2O5c117(2)3625(32)163128(199561020(19)29(31)33)262111781223(21)3027(26)221518(343)131424(22)354h781115172830H5691016H214H3
MFCD08680672
propan2yl(1(2(25dimethoxyphenyl)1Hindol3yl)3oxo134567hexahydro2Hisoindol2yl)acetate
propan2yl2(1(2(25dimethoxyphenyl)1Hindol3yl)3oxo4567tetrahydro1Hisoindol2yl)acetate
ZINC000010058904
ZINC000010058905
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