Vitas-M small molecule compound
(2Z)-3-[(2,5-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK527080
SMILES COc1ccc(c(c1)N/C=C(\c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])/C#N)OC
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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 C23H16N4O6S MW 476.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O6S/c1-31-16-4-6-21(32-2)18(9-16)25-11-14(10-24)22-26-19(12-34-22)17-8-13-7-15(27(29)30)3-5-20(13)33-23(17)28/h3-9,11-12,25H,1-2H3/b14-11-InChIKey
MWFKQNTUIWMCGF-KAMYIIQDSA-NSynonyms
330209-03-5(2Z)3((25dimethoxyphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(Z)3((25dimethoxyphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
(Z)3(25dimethoxyanilino)2(4(6nitro2oxochromen3yl)13thiazol2yl)prop2enenitrile
330209035
COC1=CC(=C(C=C1)OC)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
COc1ccc(c(c1)NC=C(c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O))C#N)OC
InChI=1SC23H16N4O6Sc131164621(322)18(916)251114(1024)222619(123422)17813715(27(29)30)3520(13)3323(17)28h39111225H12H3b1411
MFCD01947968
ZINC000001833210
ZINC01833210
ZINC1833210
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