Vitas-M small molecule compound
3-(4-chloro-6,7-dimethoxy-1,3-benzodioxol-5-yl)-5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole
Catalog ID
STK693061
SMILES COc1c(C2=NOC(C2)Cc2cc(OC)c3c(c2OC)OCO3)c(Cl)c2c(c1OC)OCO2
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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 C22H22ClNO9 MW 479.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO9/c1-25-13-6-10(16(26-2)21-17(13)29-8-31-21)5-11-7-12(24-33-11)14-15(23)19-22(32-9-30-19)20(28-4)18(14)27-3/h6,11H,5,7-9H2,1-4H3InChIKey
PSFWRNSHRNUBFQ-UHFFFAOYSA-NSynonyms
3(4chloro67dimethoxy13benzodioxol5yl)5((47dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole
COC1=C2C(=C(C(=C1)CC3CC(=NO3)C4=C(C(=C5C(=C4Cl)OCO5)OC)OC)OC)OCO2
InChI=1SC22H22ClNO9c12513610(16(262)2117(13)2983121)511712(243311)1415(23)1922(3293019)20(284)18(14)273h611H579H214H3
MFCD10039143
ZINC000015085704
ZINC000015085706
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