Vitas-M small molecule compound
2-methylpropyl 4-({(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878565
SMILES N#C/C(=C\Nc1ccc(cc1)C(=O)OCC(C)C)/c1scc(n1)c1ccc(cc1)[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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-15(2)13-31-23(28)17-3-7-19(8-4-17)25-12-18(11-24)22-26-21(14-32-22)16-5-9-20(10-6-16)27(29)30/h3-10,12,14-15,25H,13H2,1-2H3/b18-12+InChIKey
KZAUDVPGOZUGDR-LDADJPATSA-NSynonyms
1021251-53-51021251535
2methylpropyl4(((E)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)amino)benzoate
CC(C)COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC23H20N4O4Sc115(2)133123(28)173719(8417)251218(1124)222621(143222)165920(10616)27(29)30h31012141525H13H212H3b1812+
MFCD11992912
N#CC(=CNc1ccc(cc1)C(=O)OCC(C)C)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000017113290
ZINC17113290
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