Vitas-M small molecule compound
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
Catalog ID
STL435928
SMILES COc1c2OCOc2c(cc1C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCCc1c[nH]c2c1cccc2)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 C31H28N2O8 MW 556.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O8/c1-37-24-13-21(28(38-2)30-29(24)39-16-40-30)20(26-27(35)19-8-4-6-10-23(19)41-31(26)36)14-25(34)32-12-11-17-15-33-22-9-5-3-7-18(17)22/h3-10,13,15,20,33,35H,11-12,14,16H2,1-2H3,(H,32,34)InChIKey
KGSCRJMFFDLKGQ-UHFFFAOYSA-NSynonyms
3(47dimethoxy13benzodioxol5yl)3(4hydroxy2oxo2Hchromen3yl)N(2(1Hindol3yl)ethyl)propanamide
3(47dimethoxy13benzodioxol5yl)3(4hydroxy2oxochromen3yl)N(2(1Hindol3yl)ethyl)propanamide
COC1=C2C(=C(C(=C1)C(CC(=O)NCCC3=CNC4=CC=CC=C43)C5=C(C6=CC=CC=C6OC5=O)O)OC)OCO2
COc1c2OCOc2c(cc1C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCCc1c(nH)c2c1cccc2)OC
InChI=1SC31H28N2O8c137241321(28(382)3029(24)39164030)20(2627(35)198461023(19)4131(26)36)1425(34)32121117153322953718(17)22h3101315203335H11121416H212H3(H3234)
MFCD30711836
ZINC000253470578
ZINC000253470579
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