Vitas-M small molecule compound
{2,4-dioxo-1-[2-oxo-2-(phenylamino)ethyl]-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetic acid
Catalog ID
STK605660
SMILES O=C(Cn1c(=O)n(CC(=O)O)c(=O)c2c1sc1c2CCCC1)Nc1ccccc1
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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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c24-15(21-12-6-2-1-3-7-12)10-23-19-17(13-8-4-5-9-14(13)29-19)18(27)22(20(23)28)11-16(25)26/h1-3,6-7H,4-5,8-11H2,(H,21,24)(H,25,26)InChIKey
NGQKYZXKHFIMHQ-UHFFFAOYSA-NSynonyms
903203-17-8(24dioxo1(2oxo2(phenylamino)ethyl)145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(1(2anilino2oxoethyl)24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
2(24dioxo1(2oxo2(phenylamino)ethyl)125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
903203178
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC(=O)NC4=CC=CC=C4
InChI=1SC20H19N3O5Sc2415(21126213712)10231917(13845914(13)2919)18(27)22(20(23)28)1116(25)26h1367H45811H2(H2124)(H2526)
MFCD08291570
ZINC000006760107
ZINC6760107
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