Vitas-M small molecule compound
4-oxo-4-{4-[4-oxo-3-(propan-2-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl}butanoic acid
Catalog ID
STK645739
SMILES OC(=O)CCC(=O)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C(C)C)CCCC3
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-13(2)25-20(29)18-14-5-3-4-6-15(14)30-19(18)22-21(25)24-11-9-23(10-12-24)16(26)7-8-17(27)28/h13H,3-12H2,1-2H3,(H,27,28)InChIKey
JHDZFNGUTWAYGV-UHFFFAOYSA-NSynonyms
1018053-09-21018053092
4(4(3isopropyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazin1yl)4oxobutanoicacid
4oxo4(4(4oxo3(propan2yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)piperazin1yl)butanoicacid
4oxo4(4(4oxo3propan2yl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)piperazin1yl)butanoicacid
CC(C)N1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)O)SC4=C2CCCC4
InChI=1SC21H28N4O4Sc113(2)2520(29)1814534615(14)3019(18)2221(25)2411923(101224)16(26)7817(27)28h13H312H212H3(H2728)
MFCD12207974
ZINC000020730634
ZINC20730634
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