Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate
Catalog ID
STK856247
SMILES CCCc1cc2c(cc1OS(=O)(=O)C)occ(c2=O)c1ccc2c(c1)OCCCO2
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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 C22H22O7S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O7S/c1-3-5-15-10-16-20(12-19(15)29-30(2,24)25)28-13-17(22(16)23)14-6-7-18-21(11-14)27-9-4-8-26-18/h6-7,10-13H,3-5,8-9H2,1-2H3InChIKey
ZQEJJFCCIIFVLL-UHFFFAOYSA-NSynonyms
610753-93-0(3(34DIHYDRO2H15BENZODIOXEPIN7YL)4OXO6PROPYLCHROMEN7YL)METHANESULFONATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)4OXO6PROPYLCHROMEN7YLMETHYLSULFONATE
3(34dihydro2H15benzodioxepin7yl)4oxo6propyl4Hchromen7ylmethanesulfonate
3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)4OXO6PROPYL4HCHROMEN7YLMETHANESULFONATE
610753930
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OS(=O)(=O)C
InChI=1SC22H22O7Sc13515101620(1219(15)2930(224)25)281317(22(16)23)14671821(1114)279482618h671013H3589H212H3
MFCD03696031
ZINC000002107428
ZINC02107428
ZINC2107428
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