Vitas-M small molecule compound
6-amino-2-({2-oxo-2-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethyl}sulfanyl)pyrimidin-4(3H)-one
Catalog ID
STK685959
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)CSc1nc(N)cc(=O)[nH]1
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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 C20H29N5O2S MW 403.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N5O2S/c21-16-8-17(26)23-19(22-16)28-12-18(27)24-1-3-25(4-2-24)20-9-13-5-14(10-20)7-15(6-13)11-20/h8,13-15H,1-7,9-12H2,(H3,21,22,23,26)InChIKey
KPHSUTXDFDXYDE-UHFFFAOYSA-NSynonyms
2(2(4(1ADAMANTYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL6AMINO1HPYRIMIDIN4ONE6amino2((2oxo2(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethyl)sulfanyl)pyrimidin4(3H)one
C1CN(CCN1C(=O)CSC2=NC(=O)C=C(N2)N)C34CC5CC(C3)CC(C5)C4
O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)CSc1nc(N)cc(=O)(nH)1
Registry IDs
MFCD06014048ZINC000004625100
ZINC4625100
Check stock
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Check stock on Vitas-MAvailable files
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