Vitas-M small molecule compound
2-{[5-(4-hydroxybenzyl)-4-methyl-1H-imidazol-2-yl]sulfanyl}-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone
Catalog ID
STK687271
SMILES Oc1ccc(cc1)Cc1[nH]c(nc1C)SCC(=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 C27H36N4O2S MW 480.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O2S/c1-18-24(13-19-2-4-23(32)5-3-19)29-26(28-18)34-17-25(33)30-6-8-31(9-7-30)27-14-20-10-21(15-27)12-22(11-20)16-27/h2-5,20-22,32H,6-17H2,1H3,(H,28,29)InChIKey
VWCFEELCYITNCW-UHFFFAOYSA-NSynonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2((4((4HYDROXYPHENYL)METHYL)5METHYL1HIMIDAZOL2YL)SULFANYL)ETHANONE
1(4ADAMANTANYLPIPERAZINYL)2(5((4HYDROXYPHENYL)METHYL)4METHYLIMIDAZOL2YLTHIO)ETHAN1ONE
2((5(4hydroxybenzyl)4methyl1Himidazol2yl)sulfanyl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)O
InChI=1SC27H36N4O2Sc11824(13192423(32)5319)2926(2818)341725(33)306831(9730)2714201021(1527)1222(1120)1627h25202232H617H21H3(H2829)
MFCD06618096
Oc1ccc(cc1)Cc1(nH)c(nc1C)SCC(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
ZINC000012372035
ZINC12372035
Check stock
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