Vitas-M small molecule compound
ethyl 4-{[(2E)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoate
Catalog ID
STK028949
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)Nc1ccc(cc1)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 C28H25FN2O5 MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN2O5/c1-3-34-26-16-20(7-14-25(26)36-18-19-5-10-23(29)11-6-19)15-22(17-30)27(32)31-24-12-8-21(9-13-24)28(33)35-4-2/h5-16H,3-4,18H2,1-2H3,(H,31,32)/b22-15+InChIKey
VKUDGVXAYDJQLD-PXLXIMEGSA-NSynonyms
402608-42-8402608428
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC)OCC3=CC=C(C=C3)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(C(=O)Nc1ccc(cc1)C(=O)OCC)C#N
ETHYL4(((2E)2CYANO3(3ETHOXY4((4FLUOROBENZYL)OXY)PHENYL)PROP2ENOYL)AMINO)BENZOATE
ETHYL4(((E)2CYANO3(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)PROP2ENOYL)AMINO)BENZOATE
InChI=1SC28H25FN2O5c1334261620(71425(26)36181951023(29)11619)1522(1730)27(32)312412821(91324)28(33)3542h516H3418H212H3(H3132)b2215+
MFCD02373903
STK028949
ZINC000002774391
ZINC02774391
ZINC2774391
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