Vitas-M small molecule compound
ethyl 4-(4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-thioxoimidazolidin-1-yl)benzoate
Catalog ID
STK684072
SMILES CCOc1ccc(cc1)NC(=O)CC1N(CCc2sccc2C)C(=S)N(C1=O)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 C29H31N3O5S2 MW 565.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5S2/c1-4-36-23-12-8-21(9-13-23)30-26(33)18-24-27(34)32(22-10-6-20(7-11-22)28(35)37-5-2)29(38)31(24)16-14-25-19(3)15-17-39-25/h6-13,15,17,24H,4-5,14,16,18H2,1-3H3,(H,30,33)InChIKey
LCIHPKZLJBPGSI-UHFFFAOYSA-NSynonyms
CCOC1=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(4(2((4ETHOXYPHENYL)AMINO)2OXOETHYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2THIOXOIMIDAZOLIDIN1YL)BENZOATE
ETHYL4(4(2(4ETHOXYANILINO)2OXOETHYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)BENZOATE
InChI=1SC29H31N3O5S2c14362312821(91323)3026(33)182427(34)32(2210620(71122)28(35)3752)29(38)31(24)16142519(3)15173925h613151724H45141618H213H3(H3033)
MFCD05259545
ZINC000098006345
ZINC000098006346
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