Vitas-M small molecule compound
5-benzyl-2-({2-oxo-2-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethyl}sulfanyl)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK686109
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)CSC1=NC(=O)C(C(=O)N1)Cc1ccccc1
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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 C27H34N4O3S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O3S/c32-23(17-35-26-28-24(33)22(25(34)29-26)13-18-4-2-1-3-5-18)30-6-8-31(9-7-30)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-5,19-22H,6-17H2,(H,28,29,33,34)InChIKey
SMXLXDCIEKIMTA-UHFFFAOYSA-NSynonyms
2(2(4(1ADAMANTYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL5BENZYL1HPYRIMIDINE46DIONE
2(2(4ADAMANTANYLPIPERAZINYL)2OXOETHYLTHIO)5BENZYL35DIHYDROPYRIMIDINE46DIONE
5benzyl2((2oxo2(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethyl)sulfanyl)pyrimidine46(1H5H)dione
C1CN(CCN1C(=O)CSC2=NC(=O)C(C(=O)N2)CC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI=1SC27H34N4O3Sc3223(1735262824(33)22(25(34)2926)13184213518)306831(9730)2714191020(1527)1221(1119)1627h151922H617H2(H28293334)
MFCD06014564
ZINC000012376237
ZINC12376237
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