Vitas-M small molecule compound
(2Z)-2-cyano-3-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK182391
SMILES CCOc1cc(/C=C(\C(=O)Nc2ccc(cc2)OCC)/C#N)cc(c1OCc1cccc2c1cccc2)I
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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 C31H27IN2O4 MW 618.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27IN2O4/c1-3-36-26-14-12-25(13-15-26)34-31(35)24(19-33)16-21-17-28(32)30(29(18-21)37-4-2)38-20-23-10-7-9-22-8-5-6-11-27(22)23/h5-18H,3-4,20H2,1-2H3,(H,34,35)/b24-16-InChIKey
NTEYTPNNJKNJFI-JLPGSUDCSA-NSynonyms
(2Z)2CYANO3(3ETHOXY5IODO4(NAPHTHALEN1YLMETHOXY)PHENYL)N(4ETHOXYPHENYL)PROP2ENAMIDE
(Z)2cyano3(3ethoxy5iodo4(naphthalen1ylmethoxy)phenyl)N(4ethoxyphenyl)prop2enamide
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC4=CC=CC=C43)OCC)C#N
CCOc1cc(C=C(C(=O)Nc2ccc(cc2)OCC)C#N)cc(c1OCc1cccc2c1cccc2)I
InChI=1SC31H27IN2O4c133626141225(131526)3431(35)24(1933)16211728(32)30(29(1821)3742)3820231079228561127(22)23h518H3420H212H3(H3435)b2416
MFCD02195137
ZINC000097960716
ZINC97960716
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