Vitas-M small molecule compound

ethyl (2E)-3-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyanoprop-2-enoate

Catalog ID
STK153961
SMILES CCOC(=O)/C(=C/c1cc(Cl)c(c(c1)OCC)OCCOc1ccc(cc1)C(C)(C)C)/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 C26H30ClNO5 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClNO5/c1-6-30-23-16-18(14-19(17-28)25(29)31-7-2)15-22(27)24(23)33-13-12-32-21-10-8-20(9-11-21)26(3,4)5/h8-11,14-16H,6-7,12-13H2,1-5H3/b19-14+
InChIKey
WIAMXKCNOCUVPA-XMHGGMMESA-N
Synonyms

CCOC(=O)C(=Cc1cc(Cl)c(c(c1)OCC)OCCOc1ccc(cc1)C(C)(C)C)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Cl)OCCOC2=CC=C(C=C2)C(C)(C)C
ETHYL(2E)3(4(2(4TERTBUTYLPHENOXY)ETHOXY)3CHLORO5ETHOXYPHENYL)2CYANOPROP2ENOATE
ethyl(E)3(4(2(4tertbutylphenoxy)ethoxy)3chloro5ethoxyphenyl)2cyanoprop2enoate
InChI=1SC26H30ClNO5c1630231618(1419(1728)25(29)3172)1522(27)24(23)331312322110820(91121)26(34)5h8111416H671213H215H3b1914+
MFCD08673012
ZINC000013881209
ZINC13881209

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Available files

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