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)-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one
Catalog ID
STK686159
SMILES C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
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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 C23H33N5O2S MW 443.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N5O2S/c1-2-3-28-19(24)11-20(29)25-22(28)31-15-21(30)26-4-6-27(7-5-26)23-12-16-8-17(13-23)10-18(9-16)14-23/h2,11,16-18H,1,3-10,12-15,24H2InChIKey
XFJQJRDOGGASIG-UHFFFAOYSA-NSynonyms
2(2(4(1ADAMANTYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL6AMINO1PROP2ENYLPYRIMIDIN4ONE
6amino2((2oxo2(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethyl)sulfanyl)1(prop2en1yl)pyrimidin4(1H)one
C=CCN1C(=CC(=O)N=C1SCC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)N
InChI=1SC23H33N5O2Sc1232819(24)1120(29)2522(28)311521(30)264627(7526)231216817(1323)1018(916)1423h2111618H1310121524H2
MFCD06014842
ZINC000012363672
ZINC12363672
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