Vitas-M small molecule compound
2-{4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]-2-ethoxyphenoxy}-N-(2-methoxyphenyl)acetamide
Catalog ID
STL376575
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccccc1OC)/C=C(/C(=S)N)\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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-3-27-19-11-14(10-15(12-22)21(23)29)8-9-18(19)28-13-20(25)24-16-6-4-5-7-17(16)26-2/h4-11H,3,13H2,1-2H3,(H2,23,29)(H,24,25)/b15-10+InChIKey
WJTOMBBBRHZUSW-XNTDXEJSSA-NSynonyms
2(4((1E)3amino2cyano3thioxoprop1en1yl)2ethoxyphenoxy)N(2methoxyphenyl)acetamide
2(4((E)3AMINO2CYANO3SULFANYLIDENEPROP1ENYL)2ETHOXYPHENOXY)N(2METHOXYPHENYL)ACETAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC(=O)NC2=CC=CC=C2OC
CCOc1cc(ccc1OCC(=O)Nc1ccccc1OC)C=C(C(=S)N)C#N
InChI=1SC21H21N3O4Sc1327191114(1015(1222)21(23)29)8918(19)281320(25)2416645717(16)262h411H313H212H3(H22329)(H2425)b1510+
MFCD06008256
ZINC000001071063
ZINC01071063
ZINC1071063
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