Vitas-M small molecule compound
7-{[(5-chloro[1,3]oxazolo[4,5-h]quinolin-2-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STK666583
SMILES COc1c(CSc2nc3c(o2)c2ncccc2c(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 C22H17ClN2O6S MW 472.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O6S/c1-27-17-11-8-30-21(26)15(11)12(18(28-2)20(17)29-3)9-32-22-25-14-7-13(23)10-5-4-6-24-16(10)19(14)31-22/h4-7H,8-9H2,1-3H3InChIKey
CTXICGUBWIEFOB-UHFFFAOYSA-NSynonyms
7(((5chloro(13)oxazolo(45h)quinolin2yl)sulfanyl)methyl)456trimethoxy2benzofuran1(3H)one
7((5chloro(13)oxazolo(45h)quinolin2yl)sulfanylmethyl)456trimethoxy3H2benzofuran1one
COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC(=C5C=CC=NC5=C4O3)Cl)OC)OC
InChI=1SC22H17ClN2O6Sc127171183021(26)15(11)12(18(282)20(17)293)932222514713(23)105462416(10)19(14)3122h47H89H213H3
MFCD10038345
ZINC000015083419
ZINC15083419
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