Vitas-M small molecule compound
methyl 2-chloro-5-{5-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STL170695
SMILES CCOC(=O)/C(=C/c1ccc(o1)c1ccc(c(c1)C(=O)OC)Cl)/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 C18H14ClNO5 MW 359.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClNO5/c1-3-24-17(21)12(10-20)8-13-5-7-16(25-13)11-4-6-15(19)14(9-11)18(22)23-2/h4-9H,3H2,1-2H3/b12-8+InChIKey
JIYHSPDOSJBSPR-XYOKQWHBSA-NSynonyms
333351-03-4333351034
CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)OC)C#N
CCOC(=O)C(=Cc1ccc(o1)c1ccc(c(c1)C(=O)OC)Cl)C#N
InChI=1SC18H14ClNO5c132417(21)12(1020)8135716(2513)114615(19)14(911)18(22)232h49H3H212H3b128+
methyl2chloro5(5((1E)2cyano3ethoxy3oxoprop1en1yl)furan2yl)benzoate
METHYL2CHLORO5(5((E)2CYANO3ETHOXY3OXOPROP1ENYL)FURAN2YL)BENZOATE
METHYL2CHLORO5(5(2CYANO3ETHOXY3OXO1PROPENYL)2FURYL)BENZOATE
MFCD01164182
ZINC000000834281
ZINC00834281
ZINC834281
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