Vitas-M small molecule compound
ethyl 2-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Catalog ID
STK741160
SMILES CCOC(=O)c1c(CSc2ccc(cc2)Cl)oc2c1c(CN(C)C)c(cc2)O
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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 C21H22ClNO4S MW 419.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO4S/c1-4-26-21(25)20-18(12-28-14-7-5-13(22)6-8-14)27-17-10-9-16(24)15(19(17)20)11-23(2)3/h5-10,24H,4,11-12H2,1-3H3InChIKey
SBJIEQQGTZGJJV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)Cl
CCOC(=O)c1c(CSc2ccc(cc2)Cl)oc2c1c(CN(C)C)c(cc2)OCl
ethyl2(((4chlorophenyl)sulfanyl)methyl)4((dimethylamino)methyl)5hydroxy1benzofuran3carboxylate
ethyl2(((4chlorophenyl)thio)methyl)4((dimethylamino)methyl)5hydroxybenzofuran3carboxylatehydrochloride
ethyl2((4chlorophenyl)sulfanylmethyl)4((dimethylamino)methyl)5hydroxy1benzofuran3carboxylate
ETHYL2((4CHLOROPHENYL)SULFANYLMETHYL)4(DIMETHYLAMINOMETHYL)5HYDROXY1BENZOFURAN3CARBOXYLATE
InChI=1SC21H22ClNO4Sc142621(25)2018(1228147513(22)6814)271710916(24)15(19(17)20)1123(2)3h51024H41112H213H3
MFCD01558101
ZINC000001244216
ZINC1244216
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