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-phenylpyrimidin-4(1H)-one
Catalog ID
STK687154
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)CSc1nc(=O)cc(n1c1ccccc1)N
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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 C26H33N5O2S MW 479.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O2S/c27-22-13-23(32)28-25(31(22)21-4-2-1-3-5-21)34-17-24(33)29-6-8-30(9-7-29)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-5,13,18-20H,6-12,14-17,27H2InChIKey
SQCWZNLVZYJQED-UHFFFAOYSA-NSynonyms
2(2(4(1ADAMANTYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL6AMINO1PHENYLPYRIMIDIN4ONE
6amino2((2oxo2(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethyl)sulfanyl)1phenylpyrimidin4(1H)one
C1CN(CCN1C(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N)C45CC6CC(C4)CC(C6)C5
InChI=1SC26H33N5O2Sc27221323(32)2825(31(22)214213521)341724(33)296830(9729)2614181019(1526)1220(1118)1626h15131820H612141727H2
MFCD06617646
ZINC000012377087
ZINC12377087
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