Vitas-M small molecule compound

6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate

Catalog ID
STK805194
SMILES O=C(c1cccs1)Oc1cc(cc(=O)c2c1c(C)oc2C)c1ccc2c(c1)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 C23H16O6S MW 420.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16O6S/c1-12-21-16(24)8-15(14-5-6-17-18(9-14)27-11-26-17)10-19(22(21)13(2)28-12)29-23(25)20-4-3-7-30-20/h3-10H,11H2,1-2H3
InChIKey
WQVKGCAHOCWJPU-UHFFFAOYSA-N
Synonyms
835898-93-6
(6(13BENZODIOXOL5YL)13DIMETHYL8OXOCYCLOHEPTA(C)FURAN4YL)THIOPHENE2CARBOXYLATE
6(13benzodioxol5yl)13dimethyl4oxo4Hcyclohepta(c)furan8ylthiophene2carboxylate
6(benzo(d)(13)dioxol5yl)13dimethyl4oxo4Hcyclohepta(c)furan8ylthiophene2carboxylate
835898936
CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CS5
InChI=1SC23H16O6Sc1122116(24)815(14561718(914)27112617)1019(22(21)13(2)2812)2923(25)204373020h310H11H212H3
MFCD06630869
ZINC000009128686
ZINC09128686
ZINC9128686

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Available files

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