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-imidazol-4-yl)ethyl]propanamide
Catalog ID
STL435926
SMILES COc1c(cc(c2c1OCO2)OC)C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCCc1c[nH]cn1
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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 C26H25N3O8 MW 507.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O8/c1-33-19-9-17(23(34-2)25-24(19)35-13-36-25)16(10-20(30)28-8-7-14-11-27-12-29-14)21-22(31)15-5-3-4-6-18(15)37-26(21)32/h3-6,9,11-12,16,31H,7-8,10,13H2,1-2H3,(H,27,29)(H,28,30)InChIKey
PIHQLUQMFJNKJE-UHFFFAOYSA-NSynonyms
3(47dimethoxy13benzodioxol5yl)3(4hydroxy2oxo2Hchromen3yl)N(2(1Himidazol4yl)ethyl)propanamide
3(47dimethoxy13benzodioxol5yl)3(4hydroxy2oxochromen3yl)N(2(1Himidazol5yl)ethyl)propanamide
COC1=C2C(=C(C(=C1)C(CC(=O)NCCC3=CN=CN3)C4=C(C5=CC=CC=C5OC4=O)O)OC)OCO2
COc1c(cc(c2c1OCO2)OC)C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCCc1c(nH)cn1
InChI=1SC26H25N3O8c13319917(23(342)2524(19)35133625)16(1020(30)2887141127122914)2122(31)15534618(15)3726(21)32h36911121631H781013H212H3(H2729)(H2830)
MFCD30711834
ZINC000253470613
ZINC000253470614
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