Vitas-M small molecule compound
7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STK665675
SMILES COc1c(CSc2ccnc3c2ccc(c3)Cl)c2C(=O)OCc2c(c1OC)OC
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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 C21H18ClNO5S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S/c1-25-18-13-9-28-21(24)17(13)14(19(26-2)20(18)27-3)10-29-16-6-7-23-15-8-11(22)4-5-12(15)16/h4-8H,9-10H2,1-3H3InChIKey
MIPVRECEPDRVJG-UHFFFAOYSA-NSynonyms
7(((7chloroquinolin4yl)sulfanyl)methyl)456trimethoxy2benzofuran1(3H)one
7((7CHLORO(4QUINOLYLTHIO))METHYL)456TRIMETHOXY3HYDROISOBENZOFURAN1ONE
7((7chloroquinolin4yl)sulfanylmethyl)456trimethoxy3H2benzofuran1one
COC1=C(C(=C(C2=C1COC2=O)CSC3=C4C=CC(=CC4=NC=C3)Cl)OC)OC
InChI=1SC21H18ClNO5Sc125181392821(24)17(13)14(19(262)20(18)273)102916672315811(22)4512(15)16h48H910H213H3
MFCD09064841
ZINC000012418067
ZINC12418067
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