Vitas-M small molecule compound
propyl 2-chloro-5-{5-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STK379198
SMILES CCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C(/C(=O)OCC)\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 C20H18ClNO5 MW 387.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO5/c1-3-9-26-20(24)16-11-13(5-7-17(16)21)18-8-6-15(27-18)10-14(12-22)19(23)25-4-2/h5-8,10-11H,3-4,9H2,1-2H3/b14-10+InChIKey
OFNMRTKSZGWWNS-GXDHUFHOSA-NSynonyms
CCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCC)Cl
CCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C(C(=O)OCC)C#N
ETHYL(2E)3(5(4CHLORO3(PROPOXYCARBONYL)PHENYL)(2FURYL))2CYANOPROP2ENOATE
InChI=1SC20H18ClNO5c1392620(24)161113(5717(16)21)188615(2718)1014(1222)19(23)2542h581011H349H212H3b1410+
MFCD01576186
propyl2chloro5(5((1E)2cyano3ethoxy3oxoprop1en1yl)furan2yl)benzoate
PROPYL2CHLORO5(5((E)2CYANO3ETHOXY3OXOPROP1ENYL)FURAN2YL)BENZOATE
ZINC000004503549
ZINC04503549
ZINC4503549
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