Vitas-M small molecule compound
ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Catalog ID
STK207852
SMILES CCOC(=O)C1=C(CCl)OC(=C(C1c1ccc2c(c1)OCO2)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/c1-2-22-17(21)15-13(6-18)25-16(20)10(7-19)14(15)9-3-4-11-12(5-9)24-8-23-11/h3-5,14H,2,6,8,20H2,1H3InChIKey
IBBLUDFGBVMUCQ-UHFFFAOYSA-NSynonyms
607697-33-6607697336
CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N)CCl
ETHYL(4R)6AMINO4(13BENZODIOXOL5YL)2(CHLOROMETHYL)5CYANO4HPYRAN3CARBOXYLATE
ETHYL(4S)6AMINO4(13BENZODIOXOL5YL)2(CHLOROMETHYL)5CYANO4HPYRAN3CARBOXYLATE
ETHYL4(2HBENZO(34D)13DIOXOLEN5YL)6AMINO2(CHLOROMETHYL)5CYANO4HPYRAN3CARBOXYLATE
ethyl6amino4(13benzodioxol5yl)2(chloromethyl)5cyano4Hpyran3carboxylate
ethyl6amino4(benzo(d)(13)dioxol5yl)2(chloromethyl)5cyano4Hpyran3carboxylate
InChI=1SC17H15ClN2O5c122217(21)1513(618)2516(20)10(719)14(15)9341112(59)2482311h3514H26820H21H3
MFCD03683834
ZINC000001472185
ZINC000001472186
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