Vitas-M small molecule compound
ethyl 4-(5-{(1E)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STK409577
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)NCc1ccc2c(c1)OCO2)\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 C25H20N2O6 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6/c1-2-30-25(29)18-6-4-17(5-7-18)21-10-8-20(33-21)12-19(13-26)24(28)27-14-16-3-9-22-23(11-16)32-15-31-22/h3-12H,2,14-15H2,1H3,(H,27,28)/b19-12+InChIKey
OXHYEGPPZONZSY-XDHOZWIPSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)NCc1ccc2c(c1)OCO2)C#N
ETHYL4(5((1E)2(N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)CARBAMOYL)2CYANOVINYL)2FURYL)BENZOATE
ethyl4(5((1E)3((13benzodioxol5ylmethyl)amino)2cyano3oxoprop1en1yl)furan2yl)benzoate
ethyl4(5((E)3(13benzodioxol5ylmethylamino)2cyano3oxoprop1enyl)furan2yl)benzoate
InChI=1SC25H20N2O6c123025(29)186417(5718)2110820(3321)1219(1326)24(28)271416392223(1116)32153122h312H21415H21H3(H2728)b1912+
MFCD03214502
ZINC000019640281
ZINC19640281
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