Vitas-M small molecule compound
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetamide
Catalog ID
STL409648
SMILES COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1cccc(c1)c1n[nH]c(n1)C1CC1
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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 C23H22N4O5 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5/c1-30-16-9-8-15-17(32-23(29)19(15)20(16)31-2)11-18(28)24-14-5-3-4-13(10-14)22-25-21(26-27-22)12-6-7-12/h3-5,8-10,12,17H,6-7,11H2,1-2H3,(H,24,28)(H,25,26,27)InChIKey
MYFALAQEHDCHHM-UHFFFAOYSA-NSynonyms
1630835-01-61630835016
COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)NC3=CC=CC(=C3)C4=NNC(=N4)C5CC5)OC
COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1cccc(c1)c1(nH)nc(n1)C1CC1
COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1cccc(c1)c1n(nH)c(n1)C1CC1
InChI=1SC23H22N4O5c13016981517(3223(29)19(15)20(16)312)1118(28)241453413(1014)222521(262722)126712h358101217H6711H212H3(H2428)(H252627)
MFCD30705814
N(3(3cyclopropyl1H124triazol5yl)phenyl)2(45dimethoxy3oxo13dihydroisobenzofuran1yl)acetamide
N(3(5cyclopropyl1H124triazol3yl)phenyl)2(45dimethoxy3oxo13dihydro2benzofuran1yl)acetamide
N(3(5cyclopropyl1H124triazol3yl)phenyl)2(45dimethoxy3oxo1H2benzofuran1yl)acetamide
ZINC000218261927
ZINC000218261981
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