Vitas-M small molecule compound
propyl 4-({(E)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878527
SMILES CCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1cc2ccccc2oc1=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 C25H19N3O4S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O4S/c1-2-11-31-24(29)16-7-9-19(10-8-16)27-14-18(13-26)23-28-21(15-33-23)20-12-17-5-3-4-6-22(17)32-25(20)30/h3-10,12,14-15,27H,2,11H2,1H3/b18-14+InChIKey
OVQJPVIBPSRBKH-NBVRZTHBSA-NSynonyms
1021251-10-41021251104
CCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O
CCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1cc2ccccc2oc1=O)C#N
InChI=1SC25H19N3O4Sc12113124(29)167919(10816)271418(1326)232821(153323)201217534622(17)3225(20)30h31012141527H211H21H3b1814+
MFCD11992880
propyl4(((E)2cyano2(4(2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)benzoate
propyl4(((E)2cyano2(4(2oxochromen3yl)13thiazol2yl)ethenyl)amino)benzoate
ZINC000017286291
ZINC17286291
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