Vitas-M small molecule compound
methyl 2-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK535416
SMILES N#C/C(=C\Nc1cc(OC)c(cc1C(=O)OC)OC)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C23H19N3O6S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O6S/c1-28-19-7-15(23(27)30-3)16(8-20(19)29-2)25-10-14(9-24)22-26-17(11-33-22)13-4-5-18-21(6-13)32-12-31-18/h4-8,10-11,25H,12H2,1-3H3/b14-10+InChIKey
XLZKWOBHRFXOGS-GXDHUFHOSA-NSynonyms
(E)methyl2((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)45dimethoxybenzoate
COC1=C(C=C(C(=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC
InChI=1SC23H19N3O6Sc12819715(23(27)303)16(820(19)292)251014(924)222617(113322)13451821(613)32123118h48101125H12H213H3b1410+
methyl2(((E)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)45dimethoxybenzoate
MFCD02982930
N#CC(=CNc1cc(OC)c(cc1C(=O)OC)OC)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000001827203
ZINC01827203
ZINC1827203
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