Vitas-M small molecule compound
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,6-dichlorophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK059105
SMILES CCOC(=O)C1=C(CCl)OC(=C(C1c1c(Cl)cccc1Cl)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 C16H13Cl3N2O3 MW 387.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N2O3/c1-2-23-16(22)14-11(6-17)24-15(21)8(7-20)12(14)13-9(18)4-3-5-10(13)19/h3-5,12H,2,6,21H2,1H3InChIKey
MRXYGNDWLAOJTD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CCl)OC(=C(C1c1c(Cl)cccc1Cl)C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC=C2Cl)Cl)C#N)N)CCl
ETHYL(4S)6AMINO2(CHLOROMETHYL)5CYANO4(26DICHLOROPHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO2(CHLOROMETHYL)5CYANO4(26DICHLOROPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC16H13Cl3N2O3c122316(22)1411(617)2415(21)8(720)12(14)139(18)43510(13)19h3512H2621H21H3
MFCD03932900
STK059105
ZINC000001472187
ZINC000001472188
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