Vitas-M small molecule compound
diethyl 5-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK803918
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc(c1C)C(=O)OCC
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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 C23H20N4O6S2 MW 512.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6S2/c1-4-32-22(28)18-13(3)19(23(29)33-5-2)35-21(18)25-11-15(10-24)20-26-17(12-34-20)14-6-8-16(9-7-14)27(30)31/h6-9,11-12,25H,4-5H2,1-3H3/b15-11-InChIKey
FWDWFALMYKFYQK-PTNGSMBKSA-NSynonyms
(E)diethyl5((2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)amino)3methylthiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)(N+)(=O)(O))C#N)sc(c1C)C(=O)OCC
diethyl5(((Z)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
InChI=1SC23H20N4O6S2c143222(28)1813(3)19(23(29)3352)3521(18)251115(1024)202617(123420)146816(9714)27(30)31h69111225H45H213H3b1511
MFCD05730968
ZINC000009424029
ZINC9424029
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