Vitas-M small molecule compound
2-(quinolin-2-ylsulfanyl)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone
Catalog ID
STK686904
SMILES O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)CSc1ccc2c(n1)cccc2
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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 C25H31N3OS MW 421.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3OS/c29-24(17-30-23-6-5-21-3-1-2-4-22(21)26-23)27-7-9-28(10-8-27)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-6,18-20H,7-17H2InChIKey
MRQQVVPHEAWHFJ-UHFFFAOYSA-NSynonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2QUINOLIN2YLSULFANYLETHANONE
1(4ADAMANTANYLPIPERAZINYL)2(2QUINOLYLTHIO)ETHAN1ONE
2(quinolin2ylsulfanyl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5
InChI=1SC25H31N3OSc2924(1730236521312422(21)2623)277928(10827)2514181119(1525)1320(1218)1625h161820H717H2
MFCD06616711
ZINC000004707609
ZINC4707609
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