Vitas-M small molecule compound
ethyl 6-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK089590
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc2OCOc2cc1Cl)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 C17H15ClN2O5 MW 362.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN2O5/c1-3-22-17(21)14-8(2)25-16(20)10(6-19)15(14)9-4-12-13(5-11(9)18)24-7-23-12/h4-5,15H,3,7,20H2,1-2H3InChIKey
VQTVRGXYSNHFQE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)OC(=C(C1c1cc2OCOc2cc1Cl)C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2Cl)OCO3)C#N)N)C
ETHYL6AMINO4(6CHLORO13BENZODIOXOL5YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC17H15ClN2O5c132217(21)148(2)2516(20)10(619)15(14)941213(511(9)18)2472312h4515H3720H212H3
MFCD02671577
STK089590
ZINC000000643851
ZINC000000643852
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