Vitas-M small molecule compound
methyl 4-{(E)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}benzoate
Catalog ID
STK803771
SMILES COc1cccc(c1)c1csc(n1)/C(=C/c1ccc(cc1)C(=O)OC)/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 C21H16N2O3S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O3S/c1-25-18-5-3-4-16(11-18)19-13-27-20(23-19)17(12-22)10-14-6-8-15(9-7-14)21(24)26-2/h3-11,13H,1-2H3/b17-10+InChIKey
GXJOQSCRIISCEI-LICLKQGHSA-NSynonyms
(Z)methyl4(2cyano2(4(3methoxyphenyl)thiazol2yl)vinyl)benzoate
COC1=CC=CC(=C1)C2=CSC(=N2)C(=CC3=CC=C(C=C3)C(=O)OC)C#N
COc1cccc(c1)c1csc(n1)C(=Cc1ccc(cc1)C(=O)OC)C#N
InChI=1SC21H16N2O3Sc1251853416(1118)19132720(2319)17(1222)10146815(9714)21(24)262h31113H12H3b1710+
methyl4((E)2cyano2(4(3methoxyphenyl)13thiazol2yl)ethenyl)benzoate
MFCD18169496
ZINC000033887022
ZINC33887022
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