Vitas-M small molecule compound
ethyl 5-acetyl-2-({(Z)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STL056048
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cc3cc(ccc3oc2=O)[N+](=O)[O-])/C#N)sc(c1C)C(=O)C
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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 C25H18N4O7S2 MW 550.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O7S2/c1-4-35-25(32)20-12(2)21(13(3)30)38-23(20)27-10-15(9-26)22-28-18(11-37-22)17-8-14-7-16(29(33)34)5-6-19(14)36-24(17)31/h5-8,10-11,27H,4H2,1-3H3/b15-10-InChIKey
JDFNDWNSKPRTDB-GDNBJRDFSA-NSynonyms
(Z)ethyl5acetyl2((2cyano2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)vinyl)amino)4methylthiophene3carboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
CCOC(=O)c1c(NC=C(c2scc(n2)c2cc3cc(ccc3oc2=O)(N+)(=O)(O))C#N)sc(c1C)C(=O)C
ethyl5acetyl2(((Z)2cyano2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)4methylthiophene3carboxylate
ethyl5acetyl2(((Z)2cyano2(4(6nitro2oxochromen3yl)13thiazol2yl)ethenyl)amino)4methylthiophene3carboxylate
InChI=1SC25H18N4O7S2c143525(32)2012(2)21(13(3)30)3823(20)271015(926)222818(113722)17814716(29(33)34)5619(14)3624(17)31h58101127H4H213H3b1510
MFCD04025177
ZINC000001815397
ZINC01815397
ZINC1815397
Check stock
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Check stock on Vitas-MAvailable files
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