Vitas-M small molecule compound
(5E)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL042655
SMILES O=C1N=C([S-])N(C(=O)/C/1=C/NC1CC[NH+](CC1)Cc1ccccc1)CCC1=CCCCC1
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 C25H32N4O2S MW 452.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O2S/c30-23-22(24(31)29(25(32)27-23)16-11-19-7-3-1-4-8-19)17-26-21-12-14-28(15-13-21)18-20-9-5-2-6-10-20/h2,5-7,9-10,17,21,26H,1,3-4,8,11-16,18H2,(H,27,30,32)/b22-17+InChIKey
ZBQTYFPYCSKYQK-OQKWZONESA-NSynonyms
(5E)5(((1BENZYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
(5E)5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(((1benzylpiperidinium4yl)amino)methylidene)1(2(cyclohex1en1yl)ethyl)46dioxo1456tetrahydropyrimidine2thiolate
5(1(1BENZYLPIPERIDIN4YLAMINO)METH(E)YLIDENE)1(2CYCLOHEX1ENYLETHYL)2THIOXODIHYDROPYRIMIDINE46DIONE
C1CCC(=CC1)CCN2C(=O)C(=CNC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC2=S
InChI=1SC25H32N4O2Sc302322(24(31)29(25(32)2723)1611197314819)172621121428(151321)182095261020h257910172126H1348111618H2(H273032)b2217+
MFCD18248174
O=C1N=C((S))N(C(=O)C1=CNC1CC(NH+)(CC1)Cc1ccccc1)CCC1=CCCCC1
ZINC000020479974
ZINC20479974
Check stock
See real-time availability and sample size for STL042655 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.