Vitas-M small molecule compound

[4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenoxy]acetonitrile

Catalog ID
STK037594
SMILES N#CCOc1ccc(cc1OC)c1cc(=O)c2c(c(c1)OCC)c(oc2C)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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-5-26-20-12-16(10-17(24)21-13(2)28-14(3)22(20)21)15-6-7-18(27-9-8-23)19(11-15)25-4/h6-7,10-12H,5,9H2,1-4H3
InChIKey
OUTDGQLXKXTXOK-UHFFFAOYSA-N
Synonyms
461429-75-4
(4(8ETHOXY13DIMETHYL4OXO4HCYCLOHEPTA(C)FURAN6YL)2METHOXYPHENOXY)ACETONITRILE
2(4(4ETHOXY13DIMETHYL8OXOCYCLOHEPTA(C)FURAN6YL)2METHOXYPHENOXY)ACETONITRILE
2(4(8ethoxy13dimethyl4oxo4Hcyclohepta(c)furan6yl)2methoxyphenoxy)acetonitrile
2(4(8ETHOXY13DIMETHYL4OXOCYCLOHEPTA(45C)FURAN6YL)2METHOXYPHENOXY)ETHANENITRILE
461429754
CCOC1=CC(=CC(=O)C2=C(OC(=C12)C)C)C3=CC(=C(C=C3)OCC#N)OC
InChI=1SC22H21NO5c1526201216(1017(24)2113(2)2814(3)22(20)21)156718(279823)19(1115)254h671012H59H214H3
MFCD03246963
N#CCOc1ccc(cc1OC)c1cc(=O)c2c(c(c1)OCC)c(oc2C)C
STK037594
ZINC000001833039
ZINC01833039
ZINC1833039

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Available files

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