Vitas-M small molecule compound
(2Z)-3-{4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methoxyphenyl}-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK803745
SMILES COc1cccc(c1)c1csc(n1)/C(=C\c1ccc(c(c1)OC)OCC(=O)c1ccc(cc1)Cl)/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 C28H21ClN2O4S MW 517.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O4S/c1-33-23-5-3-4-20(14-23)24-17-36-28(31-24)21(15-30)12-18-6-11-26(27(13-18)34-2)35-16-25(32)19-7-9-22(29)10-8-19/h3-14,17H,16H2,1-2H3/b21-12-InChIKey
JUKNSAFOTYHMEJ-MTJSOVHGSA-NSynonyms
477297-03-3(2Z)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)2(4(3methoxyphenyl)13thiazol2yl)prop2enenitrile
(Z)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)2(4(3methoxyphenyl)13thiazol2yl)prop2enenitrile
(Z)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)2(4(3methoxyphenyl)thiazol2yl)acrylonitrile
477297033
COC1=CC=CC(=C1)C2=CSC(=N2)C(=CC3=CC(=C(C=C3)OCC(=O)C4=CC=C(C=C4)Cl)OC)C#N
COc1cccc(c1)c1csc(n1)C(=Cc1ccc(c(c1)OC)OCC(=O)c1ccc(cc1)Cl)C#N
InChI=1SC28H21ClN2O4Sc1332353420(1423)24173628(3124)21(1530)121861126(27(1318)342)351625(32)197922(29)10819h31417H16H212H3b2112
MFCD03670630
ZINC000009075407
ZINC09075407
ZINC9075407
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