Vitas-M small molecule compound
ethyl 4-{4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-thioxoimidazolidin-1-yl}benzoate
Catalog ID
STK684074
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1CCc1sccc1C)c1ccc(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 C30H31N3O6S2 MW 593.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6S2/c1-4-38-28(36)20-6-10-22(11-7-20)31-26(34)18-24-27(35)33(23-12-8-21(9-13-23)29(37)39-5-2)30(40)32(24)16-14-25-19(3)15-17-41-25/h6-13,15,17,24H,4-5,14,16,18H2,1-3H3,(H,31,34)InChIKey
OXLYVVJHPKBJTR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=C(C=CS3)C)C4=CC=C(C=C4)C(=O)OCC
ETHYL4((2(1(4ETHOXYCARBONYLPHENYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL4(4(2((4(ETHOXYCARBONYL)PHENYL)AMINO)2OXOETHYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2THIOXOIMIDAZOLIDIN1YL)BENZOATE
InChI=1SC30H31N3O6S2c143828(36)2061022(11720)3126(34)182427(35)33(2312821(91323)29(37)3952)30(40)32(24)16142519(3)15174125h613151724H45141618H213H3(H3134)
MFCD05259547
ZINC000098006349
ZINC000098006350
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