Vitas-M small molecule compound
[2,4-dioxo-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetic acid
Catalog ID
STK601857
SMILES O=C(Cn1c(=O)n(CC(=O)O)c(=O)c2c1sc1c2CCCC1)NCCc1ccccc1
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c26-17(23-11-10-14-6-2-1-3-7-14)12-25-21-19(15-8-4-5-9-16(15)31-21)20(29)24(22(25)30)13-18(27)28/h1-3,6-7H,4-5,8-13H2,(H,23,26)(H,27,28)InChIKey
QUGAOKLWWITYAA-UHFFFAOYSA-NSynonyms
903858-61-7(24dioxo1(2oxo2((2phenylethyl)amino)ethyl)145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(24dioxo1(2oxo2(2phenylethylamino)ethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
2(24dioxo1(2oxo2(phenethylamino)ethyl)125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
903858617
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC(=O)NCCC4=CC=CC=C4
InChI=1SC22H23N3O5Sc2617(231110146213714)12252119(15845916(15)3121)20(29)24(22(25)30)1318(27)28h1367H45813H2(H2326)(H2728)
MFCD08291217
ZINC000009435269
ZINC9435269
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