Vitas-M small molecule compound
(2E)-3-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
Catalog ID
STK077235
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)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 C29H32N2O5 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5/c1-5-33-27-18-21(17-22(19-30)28(32)31-20-25-7-6-14-34-25)8-13-26(27)36-16-15-35-24-11-9-23(10-12-24)29(2,3)4/h6-14,17-18H,5,15-16,20H2,1-4H3,(H,31,32)/b22-17+InChIKey
IDCJRKFDQBZGDQ-OQKWZONESA-NSynonyms
(2E)3(4(2(4TERTBUTYLPHENOXY)ETHOXY)3ETHOXYPHENYL)2CYANON(FURAN2YLMETHYL)PROP2ENAMIDE
(E)3(4(2(4tertbutylphenoxy)ethoxy)3ethoxyphenyl)2cyanoN(furan2ylmethyl)prop2enamide
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OCCOC3=CC=C(C=C3)C(C)(C)C
CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=C(C(=O)NCc1ccco1)C#N
InChI=1SC29H32N2O5c1533271821(1722(1930)28(32)31202576143425)81326(27)361615352411923(101224)29(23)4h6141718H5151620H214H3(H3132)b2217+
MFCD05976555
STK077235
ZINC000013899473
ZINC13899473
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