Vitas-M small molecule compound
4-{(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK803781
SMILES N#C/C(=C\c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(cc1)Cl
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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 C22H17ClN2O4S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4S/c1-13(26)29-21-19(27-2)9-14(10-20(21)28-3)8-16(11-24)22-25-18(12-30-22)15-4-6-17(23)7-5-15/h4-10,12H,1-3H3/b16-8+InChIKey
BGVIJMPVQUHMPM-LZYBPNLTSA-NSynonyms
(4((E)2(4(4CHLOROPHENYL)13THIAZOL2YL)2CYANOETHENYL)26DIMETHOXYPHENYL)ACETATE
(Z)4(2(4(4chlorophenyl)thiazol2yl)2cyanovinyl)26dimethoxyphenylacetate
4((E)2(4(4chlorophenyl)13thiazol2yl)2cyanoethenyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl)OC
InChI=1SC22H17ClN2O4Sc113(26)292119(272)914(1020(21)283)816(1124)222518(123022)154617(23)7515h41012H13H3b168+
MFCD07190134
N#CC(=Cc1cc(OC)c(c(c1)OC)OC(=O)C)c1scc(n1)c1ccc(cc1)Cl
ZINC000012140003
ZINC12140003
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