Vitas-M small molecule compound
2-methylpropyl 4-({(Z)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878573
SMILES N#C/C(=C/Nc1ccc(cc1)C(=O)OCC(C)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
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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 C26H20N4O6S MW 516.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O6S/c1-15(2)13-35-25(31)16-3-5-19(6-4-16)28-12-18(11-27)24-29-22(14-37-24)21-10-17-9-20(30(33)34)7-8-23(17)36-26(21)32/h3-10,12,14-15,28H,13H2,1-2H3/b18-12-InChIKey
PETORJVFJSDVGL-PDGQHHTCSA-NSynonyms
2methylpropyl4(((Z)2cyano2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)benzoate
2methylpropyl4(((Z)2cyano2(4(6nitro2oxochromen3yl)13thiazol2yl)ethenyl)amino)benzoate
CC(C)COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC26H20N4O6Sc115(2)133525(31)163519(6416)281218(1127)242922(143724)211017920(30(33)34)7823(17)3626(21)32h31012141528H13H212H3b1812
MFCD18170351
N#CC(=CNc1ccc(cc1)C(=O)OCC(C)C)c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000040476992
ZINC40476992
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