Vitas-M small molecule compound
ethyl 4-[({2,4-dioxo-3-[2-(thiophen-2-yl)ethyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetyl)amino]benzoate
Catalog ID
STL078299
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1c(=O)n(CCc2cccs2)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 C23H21N3O5S2 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S2/c1-2-31-22(29)15-5-7-16(8-6-15)24-19(27)14-26-18-10-13-33-20(18)21(28)25(23(26)30)11-9-17-4-3-12-32-17/h3-8,10,12-13H,2,9,11,14H2,1H3,(H,24,27)InChIKey
DYQRTARIOSVZDO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CS4)SC=C3
ethyl4(((24dioxo3(2(thiophen2yl)ethyl)34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
ethyl4((2(24dioxo3(2thiophen2ylethyl)thieno(32d)pyrimidin1yl)acetyl)amino)benzoate
InChI=1SC23H21N3O5S2c123122(29)155716(8615)2419(27)14261810133320(18)21(28)25(23(26)30)1191743123217h38101213H291114H21H3(H2427)
MFCD18199508
ZINC000067218664
ZINC67218664
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