Vitas-M small molecule compound
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK870663
SMILES CCOC(=O)C1=C(CCl)OC(=C(C1c1cccc(c1)[N+](=O)[O-])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 C16H14ClN3O5 MW 363.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3O5/c1-2-24-16(21)14-12(7-17)25-15(19)11(8-18)13(14)9-4-3-5-10(6-9)20(22)23/h3-6,13H,2,7,19H2,1H3InChIKey
SHFPTARTEMLSSD-UHFFFAOYSA-NSynonyms
340807-65-0340807650
CCOC(=O)C1=C(CCl)OC(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C#N)N)CCl
ETHYL(4S)6AMINO2(CHLOROMETHYL)5CYANO4(3NITROPHENYL)4HPYRAN3CARBOXYLATE
ethyl6amino2(chloromethyl)5cyano4(3nitrophenyl)4Hpyran3carboxylate
InChI=1SC16H14ClN3O5c122416(21)1412(717)2515(19)11(818)13(14)943510(69)20(22)23h3613H2719H21H3
MFCD00811976
ZINC000004311328
ZINC000004311329
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