Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl 4-methylbenzoate
Catalog ID
STK408963
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C(/C(=O)NCc1ccco1)\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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-3-30-23-14-18(13-20(15-26)24(28)27-16-21-5-4-12-31-21)8-11-22(23)32-25(29)19-9-6-17(2)7-10-19/h4-14H,3,16H2,1-2H3,(H,27,28)/b20-13+InChIKey
CNYMKAUNYIDSQW-DEDYPNTBSA-NSynonyms
(4((E)2cyano3(furan2ylmethylamino)3oxoprop1enyl)2ethoxyphenyl)4methylbenzoate
4((1E)2CYANO2(N(2FURYLMETHYL)CARBAMOYL)VINYL)2ETHOXYPHENYL4METHYLBENZOATE
4((1E)2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)2ethoxyphenyl4methylbenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=C(C=C3)C
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C(C(=O)NCc1ccco1)C#N
InChI=1SC25H22N2O5c1330231418(1320(1526)24(28)27162154123121)81122(23)3225(29)199617(2)71019h414H316H212H3(H2728)b2013+
MFCD07077224
ZINC000017096849
ZINC17096849
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