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

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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-N
Synonyms
1018149-41-1
1018149411
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

Check stock

See real-time availability and sample size for STK645802 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.