Vitas-M small molecule compound
ethyl 4-(5-{(1Z)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STK706447
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(\C(=O)NC1CCS(=O)(=O)C1)/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 C21H20N2O6S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S/c1-2-28-21(25)15-5-3-14(4-6-15)19-8-7-18(29-19)11-16(12-22)20(24)23-17-9-10-30(26,27)13-17/h3-8,11,17H,2,9-10,13H2,1H3,(H,23,24)/b16-11-InChIKey
APIPMANLXNWRGZ-WJDWOHSUSA-NSynonyms
(E)ethyl4(5(2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)furan2yl)benzoate
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCS(=O)(=O)C3
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)NC1CCS(=O)(=O)C1)C#N
ethyl4(5((1Z)2cyano3((11dioxidotetrahydrothiophen3yl)amino)3oxoprop1en1yl)furan2yl)benzoate
ethyl4(5((Z)2cyano3((11dioxothiolan3yl)amino)3oxoprop1enyl)furan2yl)benzoate
InChI=1SC21H20N2O6Sc122821(25)155314(4615)198718(2919)1116(1222)20(24)231791030(2627)1317h381117H291013H21H3(H2324)b1611
MFCD03463454
ZINC000026688613
ZINC000026688615
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