Vitas-M small molecule compound
ethyl 4-{5-[(E)-2-cyano-2-{4-(thiophen-2-yl)-5-[(thiophen-2-ylcarbonyl)amino]-1,3-thiazol-2-yl}ethenyl]furan-2-yl}benzoate
Catalog ID
STK515436
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/c1nc(c(s1)NC(=O)c1cccs1)c1cccs1)\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 C28H19N3O4S3 MW 557.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O4S3/c1-2-34-28(33)18-9-7-17(8-10-18)21-12-11-20(35-21)15-19(16-29)26-30-24(22-5-3-13-36-22)27(38-26)31-25(32)23-6-4-14-37-23/h3-15H,2H2,1H3,(H,31,32)/b19-15+InChIKey
HDQRWLAAQOROHN-XDJHFCHBSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NC(=C(S3)NC(=O)C4=CC=CS4)C5=CC=CS5
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(c1nc(c(s1)NC(=O)c1cccs1)c1cccs1)C#N
ethyl4(5((E)2cyano2(4(thiophen2yl)5((thiophen2ylcarbonyl)amino)13thiazol2yl)ethenyl)furan2yl)benzoate
ETHYL4(5((E)2CYANO2(5(THIOPHENE2CARBONYLAMINO)4THIOPHEN2YL13THIAZOL2YL)ETHENYL)FURAN2YL)BENZOATE
InChI=1SC28H19N3O4S3c123428(33)189717(81018)21121120(3521)1519(1629)263024(2253133622)27(3826)3125(32)2364143723h315H2H21H3(H3132)b1915+
MFCD03531469
ZINC000097946869
ZINC97946869
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