Vitas-M small molecule compound
ethyl [4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-bromo-6-methoxyphenoxy]acetate
Catalog ID
STL181627
SMILES CCOC(=O)COc1c(Br)cc(cc1OC)C1C(=C(N)OC2=C1C(=O)CCC2)C#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 C21H21BrN2O6 MW 477.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O6/c1-3-28-17(26)10-29-20-13(22)7-11(8-16(20)27-2)18-12(9-23)21(24)30-15-6-4-5-14(25)19(15)18/h7-8,18H,3-6,10,24H2,1-2H3InChIKey
INTRKLRPGOYVIN-UHFFFAOYSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1Br)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC
ethyl(4(2amino3cyano5oxo5678tetrahydro4Hchromen4yl)2bromo6methoxyphenoxy)acetate
ethyl2(4(2amino3cyano5oxo4678tetrahydrochromen4yl)2bromo6methoxyphenoxy)acetate
InChI=1SC21H21BrN2O6c132817(26)10292013(22)711(816(20)272)1812(923)21(24)301564514(25)19(15)18h7818H361024H212H3
MFCD05987363
ZINC000001110411
ZINC000001110412
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