Vitas-M small molecule compound
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methoxyphenyl}prop-2-enenitrile
Catalog ID
STL001754
SMILES COc1cc(ccc1OCC(=O)c1ccc(cc1)Cl)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/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 C28H19ClN2O5S MW 530.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN2O5S/c1-33-26-11-17(2-8-24(26)34-14-23(32)18-3-6-21(29)7-4-18)10-20(13-30)28-31-22(15-37-28)19-5-9-25-27(12-19)36-16-35-25/h2-12,15H,14,16H2,1H3/b20-10-InChIKey
UXEZNBRCTDQDSJ-JMIUGGIZSA-NSynonyms
477297-08-8(2Z)2(4(13benzodioxol5yl)13thiazol2yl)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)prop2enenitrile
(Z)2(4(13benzodioxol5yl)13thiazol2yl)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)prop2enenitrile
(Z)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)acrylonitrile
477297088
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OCC(=O)C5=CC=C(C=C5)Cl
COc1cc(ccc1OCC(=O)c1ccc(cc1)Cl)C=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
InChI=1SC28H19ClN2O5Sc133261117(2824(26)341423(32)183621(29)7418)1020(1330)283122(153728)19592527(1219)36163525h21215H1416H21H3b2010
MFCD03668986
ZINC000100931879
ZINC100931879
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