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Vitas-M small molecule compound

methyl (3-benzyl-5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxoimidazolidin-1-yl)acetate

Catalog ID
STK074746
SMILES COC(=O)CN1C(CC(=O)Nc2ccc(cc2)Br)C(=O)N(C1=S)Cc1ccccc1

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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 C21H20BrN3O4S MW 490.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O4S/c1-29-19(27)13-24-17(11-18(26)23-16-9-7-15(22)8-10-16)20(28)25(21(24)30)12-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,23,26)
InChIKey
WTHWLBFJEPVWIR-UHFFFAOYSA-N
Synonyms

2(3BENZYL5(2(4BROMOANILINO)2KETOETHYL)4KETO2THIOXOIMIDAZOLIDIN1YL)ACETICACIDMETHYLESTER
2(5(2(4BROMOANILINO)2OXOETHYL)4OXO3(PHENYLMETHYL)2SULFANYLIDENE1IMIDAZOLIDINYL)ACETICACIDMETHYLESTER
COC(=O)CN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)Br
COC(=O)CN1C(CC(=O)Nc2ccc(cc2)Br)C(=O)N(C1=S)Cc1ccccc1
InChI=1SC21H20BrN3O4Sc12919(27)132417(1118(26)23169715(22)81016)20(28)25(21(24)30)12145324614h21017H1113H21H3(H2326)
METHYL(3BENZYL5(2((4BROMOPHENYL)AMINO)2OXOETHYL)4OXO2THIOXO1IMIDAZOLIDINYL)ACETATE
METHYL(3BENZYL5(2((4BROMOPHENYL)AMINO)2OXOETHYL)4OXO2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2(3BENZYL5(2(4BROMOANILINO)2OXOETHYL)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
METHYL2(5(2((4BROMOPHENYL)AMINO)2OXIDANYLIDENEETHYL)4OXIDANYLIDENE3(PHENYLMETHYL)2SULFANYLIDENEIMIDAZOLIDIN1YL)ETHANOATE
MFCD02143165
STK074746
ZINC000001185039
ZINC000001185040

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Available files

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