Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-iodophenyl}-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL371424
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(I)c(c(c1)OCC)OCc1ccccc1C#N)C#N)N
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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 C26H24IN3O5 MW 585.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24IN3O5/c1-4-32-21-11-18(10-20(27)24(21)34-14-17-9-7-6-8-16(17)12-28)23-19(13-29)25(30)35-15(3)22(23)26(31)33-5-2/h6-11,23H,4-5,14,30H2,1-3H3InChIKey
QQWVMYFYQUPLGL-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)I)OCC3=CC=CC=C3C#N
ethyl6amino5cyano4(4((2cyanobenzyl)oxy)3ethoxy5iodophenyl)2methyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(4((2CYANOPHENYL)METHOXY)3ETHOXY5IODOPHENYL)2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC26H24IN3O5c1432211118(1020(27)24(21)341417976816(17)1228)2319(1329)25(30)3515(3)22(23)26(31)3352h61123H451430H213H3
MFCD04151858
ZINC000000639290
ZINC000000639292
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