Vitas-M small molecule compound
(5E)-5-[4-(azepan-1-yl)benzylidene]-1-(butan-2-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL148732
SMILES CCC(N1C(=NC(=O)/C(=C\c2ccc(cc2)N2CCCCCC2)/C1=O)S)C
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 C21H27N3O2S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2S/c1-3-15(2)24-20(26)18(19(25)22-21(24)27)14-16-8-10-17(11-9-16)23-12-6-4-5-7-13-23/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,22,25,27)/b18-14+InChIKey
YJOJILZALHVPAN-NBVRZTHBSA-NSynonyms
(5E)5((4(azepan1yl)phenyl)methylidene)1butan2yl2sulfanylidene13diazinane46dione
(5E)5(4(azepan1yl)benzylidene)1(butan2yl)2sulfanylpyrimidine46(1H5H)dione
CCC(N1C(=NC(=O)C(=Cc2ccc(cc2)N2CCCCCC2)C1=O)S)C
InChI=1SC21H27N3O2Sc1315(2)2420(26)18(19(25)2221(24)27)141681017(11916)231264571323h8111415H371213H212H3(H222527)b1814+
MFCD04079472
ZINC000002426548
ZINC000002426550
Check stock
See real-time availability and sample size for STL148732 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.