Vitas-M small molecule compound
ethyl 4-[({4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-ethoxyphenoxy}acetyl)amino]benzoate
Catalog ID
STK400440
SMILES CCOc1cc(/C=N/NC(=S)N)ccc1OCC(=O)Nc1ccc(cc1)C(=O)OCC
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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 C21H24N4O5S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S/c1-3-28-18-11-14(12-23-25-21(22)31)5-10-17(18)30-13-19(26)24-16-8-6-15(7-9-16)20(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,24,26)(H3,22,25,31)/b23-12+InChIKey
QEVVHFVPZJQVRG-FSJBWODESA-NSynonyms
514219-49-9514219499
CCOC1=C(C=CC(=C1)C=NNC(=S)N)OCC(=O)NC2=CC=C(C=C2)C(=O)OCC
CCOc1cc(C=NNC(=S)N)ccc1OCC(=O)Nc1ccc(cc1)C(=O)OCC
ethyl4(((4((E)(2carbamothioylhydrazinylidene)methyl)2ethoxyphenoxy)acetyl)amino)benzoate
ethyl4((2(4((E)(carbamothioylhydrazinylidene)methyl)2ethoxyphenoxy)acetyl)amino)benzoate
InChI=1SC21H24N4O5Sc1328181114(12232521(22)31)51017(18)301319(26)24168615(7916)20(27)2942h512H3413H212H3(H2426)(H3222531)b2312+
MFCD02054143
ZINC000013747241
ZINC96603227
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