Vitas-M small molecule compound
3-{[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STL394802
SMILES COc1c(OC)ccc2c1C(=O)OC2Nc1ccn(n1)Cc1ccc(cc1)Cl
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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 C20H18ClN3O4 MW 399.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4/c1-26-15-8-7-14-17(18(15)27-2)20(25)28-19(14)22-16-9-10-24(23-16)11-12-3-5-13(21)6-4-12/h3-10,19H,11H2,1-2H3,(H,22,23)InChIKey
QJCFOCCNPIUGCR-UHFFFAOYSA-NSynonyms
1005566-76-61005566766
3((1((4chlorophenyl)methyl)pyrazol3yl)amino)67dimethoxy3H2benzofuran1one
3((1(4CHLOROBENZYL)1HPYRAZOL3YL)AMINO)67DIMETHOXY2BENZOFURAN1(3H)ONE
COC1=C(C2=C(C=C1)C(OC2=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl)OC
InChI=1SC20H18ClN3O4c12615871417(18(15)272)20(25)2819(14)221691024(2316)11123513(21)6412h31019H11H212H3(H2223)
MFCD04140863
ZINC000002732218
ZINC000002732219
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