Vitas-M small molecule compound
7-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-triethoxy-2-benzofuran-1(3H)-one
Catalog ID
STK665931
SMILES CCOc1c(CSc2nnc(o2)c2ccc(cc2)Cl)c2C(=O)OCc2c(c1OCC)OCC
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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 C23H23ClN2O6S MW 490.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O6S/c1-4-28-18-15-11-31-22(27)17(15)16(19(29-5-2)20(18)30-6-3)12-33-23-26-25-21(32-23)13-7-9-14(24)10-8-13/h7-10H,4-6,11-12H2,1-3H3InChIKey
PAJJPBCRSSOGLO-UHFFFAOYSA-NSynonyms
7(((5(4chlorophenyl)134oxadiazol2yl)sulfanyl)methyl)456triethoxy2benzofuran1(3H)one
7((5(4chlorophenyl)134oxadiazol2yl)sulfanylmethyl)456triethoxy3H2benzofuran1one
CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl)OCC)OCC
InChI=1SC23H23ClN2O6Sc14281815113122(27)17(15)16(19(2952)20(18)3063)123323262521(3223)137914(24)10813h710H461112H213H3
MFCD12034114
ZINC000015109196
ZINC15109196
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