Vitas-M small molecule compound
4-{4-[3-(2-methylpropyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]piperazin-1-yl}-4-oxobutanoic acid
Catalog ID
STK645802
SMILES OC(=O)CCC(=O)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1CC(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 C22H30N4O4S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O4S/c1-14(2)13-26-21(30)19-15-5-3-4-6-16(15)31-20(19)23-22(26)25-11-9-24(10-12-25)17(27)7-8-18(28)29/h14H,3-13H2,1-2H3,(H,28,29)InChIKey
NGVQNGMTQXZPPO-UHFFFAOYSA-NSynonyms
1018149-41-11018149411
4(4(3(2methylpropyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)piperazin1yl)4oxobutanoicacid
4(4(3(2methylpropyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)piperazin1yl)4oxobutanoicacid
4(4(3isobutyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazin1yl)4oxobutanoicacid
CC(C)CN1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)O)SC4=C2CCCC4
InChI=1SC22H30N4O4Sc114(2)132621(30)1915534616(15)3120(19)2322(26)2511924(101225)17(27)7818(28)29h14H313H212H3(H2829)
MFCD12210577
ZINC000020745871
ZINC20745871
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