Vitas-M small molecule compound
(4-{(E)-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imino]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK374539
SMILES COc1cc(ccc1OCC(=O)O)/C=N/c1sc2c(c1C#N)CCC2
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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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c1-23-15-7-11(5-6-14(15)24-10-17(21)22)9-20-18-13(8-19)12-3-2-4-16(12)25-18/h5-7,9H,2-4,10H2,1H3,(H,21,22)/b20-9+InChIKey
XBGCOKHJNUDFNA-AWQFTUOYSA-NSynonyms
(4((E)((3cyano56dihydro4Hcyclopenta(b)thiophen2yl)imino)methyl)2methoxyphenoxy)aceticacid
2(4((E)(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)iminomethyl)2methoxyphenoxy)aceticacid
COC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCC3)C#N)OCC(=O)O
COc1cc(ccc1OCC(=O)O)C=Nc1sc2c(c1C#N)CCC2
InChI=1SC18H16N2O4Sc12315711(5614(15)241017(21)22)9201813(819)1232416(12)2518h579H2410H21H3(H2122)b209+
MFCD01030005
ZINC000000714197
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