Vitas-M small molecule compound
propyl 4-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878522
SMILES CCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1cccc(c1)[N+](=O)[O-])\C#N
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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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-2-10-30-22(27)15-6-8-18(9-7-15)24-13-17(12-23)21-25-20(14-31-21)16-4-3-5-19(11-16)26(28)29/h3-9,11,13-14,24H,2,10H2,1H3/b17-13+InChIKey
DRIVWUSGTISJPM-GHRIWEEISA-NSynonyms
1021251-05-71021251057
CCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
CCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC22H18N4O4Sc12103022(27)156818(9715)241317(1223)212520(143121)1643519(1116)26(28)29h3911131424H210H21H3b1713+
MFCD11992876
propyl4(((E)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)amino)benzoate
ZINC000017286341
ZINC17286341
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