Vitas-M small molecule compound
ethyl 2-({[3-(3-methylbutyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}amino)benzoate
Catalog ID
STL030212
SMILES CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2c1ccs2
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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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-4-30-21(28)15-7-5-6-8-16(15)23-18(26)13-25-17-10-12-31-19(17)20(27)24(22(25)29)11-9-14(2)3/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H,23,26)InChIKey
COGHABLEXHOTLI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C3=C(C(=O)N(C2=O)CCC(C)C)SC=C3
ethyl2(((3(3methylbutyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
ethyl2((2(3(3methylbutyl)24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
InChI=1SC22H25N3O5Sc143021(28)15756816(15)2318(26)13251710123119(17)20(27)24(22(25)29)11914(2)3h58101214H491113H213H3(H2326)
MFCD18190400
ZINC000057426644
ZINC57426644
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