Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{4-[2-(4-methylphenyl)-2-oxoethoxy]phenyl}prop-2-enenitrile
Catalog ID
STK898633
SMILES N#C/C(=C\c1ccc(cc1)OCC(=O)c1ccc(cc1)C)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C28H20N2O4S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O4S/c1-18-2-6-20(7-3-18)25(31)15-32-23-9-4-19(5-10-23)12-22(14-29)28-30-24(16-35-28)21-8-11-26-27(13-21)34-17-33-26/h2-13,16H,15,17H2,1H3/b22-12+InChIKey
YMHGWRIJOFBSTK-WSDLNYQXSA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3(4(2(4methylphenyl)2oxoethoxy)phenyl)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(4(2(4METHYLPHENYL)2OXOETHOXY)PHENYL)PROP2ENENITRILE
CC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC28H20N2O4Sc1182620(7318)25(31)1532239419(51023)1222(1429)283024(163528)218112627(1321)34173326h21316H1517H21H3b2212+
MFCD04219763
N#CC(=Cc1ccc(cc1)OCC(=O)c1ccc(cc1)C)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000016320055
ZINC16320055
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