Vitas-M small molecule compound
methyl 4-({(E)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878478
SMILES N#C/C(=C\Nc1ccc(cc1)C(=O)OC)/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 C23H14N4O6S MW 474.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N4O6S/c1-32-22(28)13-2-4-16(5-3-13)25-11-15(10-24)21-26-19(12-34-21)18-9-14-8-17(27(30)31)6-7-20(14)33-23(18)29/h2-9,11-12,25H,1H3/b15-11+InChIKey
PYKUKLBBKCUZNE-RVDMUPIBSA-NSynonyms
1021230-53-41021230534
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=1SC23H14N4O6Sc13222(28)132416(5313)251115(1024)212619(123421)18914817(27(30)31)6720(14)3323(18)29h29111225H1H3b1511+
methyl4(((E)2cyano2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)benzoate
methyl4(((E)2cyano2(4(6nitro2oxochromen3yl)13thiazol2yl)ethenyl)amino)benzoate
MFCD11992860
N#CC(=CNc1ccc(cc1)C(=O)OC)c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000016917400
ZINC16917400
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