Vitas-M small molecule compound
N-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL314275
SMILES COc1ccc(cc1OC)CCc1n[nH]c(n1)NC(=O)c1ccc2c(c1)OCCCO2
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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 C22H24N4O5 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5/c1-28-16-7-4-14(12-18(16)29-2)5-9-20-23-22(26-25-20)24-21(27)15-6-8-17-19(13-15)31-11-3-10-30-17/h4,6-8,12-13H,3,5,9-11H2,1-2H3,(H2,23,24,25,26,27)InChIKey
CXDUWJHAFLSTOP-UHFFFAOYSA-NSynonyms
1574485-78-11574485781
COC1=C(C=C(C=C1)CCC2=NC(=NN2)NC(=O)C3=CC4=C(C=C3)OCCCO4)OC
COc1ccc(cc1OC)CCc1(nH)nc(n1)NC(=O)c1ccc2c(c1)OCCCO2
COc1ccc(cc1OC)CCc1n(nH)c(n1)NC(=O)c1ccc2c(c1)OCCCO2
InChI=1SC22H24N4O5c128167414(1218(16)292)59202322(262520)2421(27)15681719(1315)31113103017h4681213H35911H212H3(H22324252627)
MFCD28030604
N(3(2(34dimethoxyphenyl)ethyl)1H124triazol5yl)34dihydro2H15benzodioxepine7carboxamide
N(5(2(34dimethoxyphenyl)ethyl)1H124triazol3yl)34dihydro2H15benzodioxepine7carboxamide
N(5(34dimethoxyphenethyl)1H124triazol3yl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
ZINC000095476192
ZINC95476192
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