Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
Catalog ID
STK776114
SMILES O=C1OC2=C(C(C1)c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)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 C18H18O5 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18O5/c1-18(2)7-12(19)17-11(6-16(20)23-15(17)8-18)10-3-4-13-14(5-10)22-9-21-13/h3-5,11H,6-9H2,1-2H3InChIKey
FQJOJPJVIILVRF-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)77dimethyl3468tetrahydrochromene25dione
4(13benzodioxol5yl)77dimethyl4678tetrahydro2Hchromene25(3H)dione
4(benzo(d)(13)dioxol5yl)77dimethyl3478tetrahydro2Hchromene25(6H)dione
CC1(CC2=C(C(CC(=O)O2)C3=CC4=C(C=C3)OCO4)C(=O)C1)C
InChI=1SC18H18O5c118(2)712(19)1711(616(20)2315(17)818)10341314(510)2292113h3511H69H212H3
MFCD05258509
ZINC000001422979
ZINC000001422980
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