Vitas-M small molecule compound

(2Z)-3-{3-chloro-5-ethoxy-4-[(4-iodobenzyl)oxy]phenyl}-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide

Catalog ID
STK182388
SMILES CCOc1cc(/C=C(\C(=O)Nc2ccc(cc2)OCC)/C#N)cc(c1OCc1ccc(cc1)I)Cl

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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 C27H24ClIN2O4 MW 602.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClIN2O4/c1-3-33-23-11-9-22(10-12-23)31-27(32)20(16-30)13-19-14-24(28)26(25(15-19)34-4-2)35-17-18-5-7-21(29)8-6-18/h5-15H,3-4,17H2,1-2H3,(H,31,32)/b20-13-
InChIKey
VXDLUTKKHGYQDQ-MOSHPQCFSA-N
Synonyms

(2Z)3(3CHLORO5ETHOXY4((4IODOBENZYL)OXY)PHENYL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
(Z)3(3chloro5ethoxy4((4iodophenyl)methoxy)phenyl)2cyanoN(4ethoxyphenyl)prop2enamide
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)I)OCC)C#N
CCOc1cc(C=C(C(=O)Nc2ccc(cc2)OCC)C#N)cc(c1OCc1ccc(cc1)I)Cl
InChI=1SC27H24ClIN2O4c13332311922(101223)3127(32)20(1630)13191424(28)26(25(1519)3442)3517185721(29)8618h515H3417H212H3(H3132)b2013
MFCD02194013
ZINC000097960713
ZINC97960713

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Available files

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