Vitas-M small molecule compound
ethyl (2E)-3-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyanoprop-2-enoate
Catalog ID
STK069793
SMILES CCOC(=O)/C(=C/c1cc(Cl)c(c(c1)OC)OCCOc1ccc(cc1)C(CC)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 C25H28ClNO5 MW 457.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClNO5/c1-5-17(3)19-7-9-21(10-8-19)31-11-12-32-24-22(26)14-18(15-23(24)29-4)13-20(16-27)25(28)30-6-2/h7-10,13-15,17H,5-6,11-12H2,1-4H3/b20-13+InChIKey
YADKEAYJJRITAU-DEDYPNTBSA-NSynonyms
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C(C#N)C(=O)OCC)OC
CCOC(=O)C(=Cc1cc(Cl)c(c(c1)OC)OCCOc1ccc(cc1)C(CC)C)C#N
ETHYL(2E)3(4(2(4(BUTAN2YL)PHENOXY)ETHOXY)3CHLORO5METHOXYPHENYL)2CYANOPROP2ENOATE
ETHYL(E)3(4(2(4BUTAN2YLPHENOXY)ETHOXY)3CHLORO5METHOXYPHENYL)2CYANOPROP2ENOATE
InChI=1SC25H28ClNO5c1517(3)197921(10819)311112322422(26)1418(1523(24)294)1320(1627)25(28)3062h710131517H561112H214H3b2013+
MFCD02205086
STK069793
ZINC000013898435
ZINC000013898438
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