Vitas-M small molecule compound
5-{5-[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STL415697
SMILES O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)C
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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 C22H20O7 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O7/c1-13-5-6-14(11-16(13)19(23)24)18-8-7-15(27-18)12-17-20(25)28-22(29-21(17)26)9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,24)InChIKey
DYBOXAWEPJDWBT-UHFFFAOYSA-NSynonyms
5(5((24dioxo15dioxaspiro(55)undec3ylidene)methyl)furan2yl)2methylbenzoicacid
5(5((24dioxo15dioxaspiro(55)undecan3ylidene)methyl)furan2yl)2methylbenzoicacid
5(5((810DIOXO711DIOXASPIRO(55)UNDECAN9YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC4(CCCCC4)OC3=O)C(=O)O
InChI=1SC22H20O7c1135614(1116(13)19(23)24)188715(2718)121720(25)2822(2921(17)26)93241022h581112H24910H21H3(H2324)
MFCD03676809
ZINC000006054320
ZINC6054320
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