Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(piperidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]
Catalog ID
STK939581
SMILES c1ccc(cc1)CSc1nc(N2CCCCC2)c2c(n1)c1ccccc1CC12CCCC1
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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 C28H31N3S MW 441.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3S/c1-3-11-21(12-4-1)20-32-27-29-25-23-14-6-5-13-22(23)19-28(15-7-8-16-28)24(25)26(30-27)31-17-9-2-10-18-31/h1,3-6,11-14H,2,7-10,15-20H2InChIKey
YNBHGTREDSPOOU-UHFFFAOYSA-NSynonyms
847364-50-52(benzylsulfanyl)4(piperidin1yl)6Hspiro(benzo(h)quinazoline51cyclopentane)
2(benzylthio)4(piperidin1yl)6Hspiro(benzo(h)quinazoline51cyclopentane)
2BENZYLSULFANYL4PIPERIDIN1YLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)
847364505
C1CCN(CC1)C2=NC(=NC3=C2C4(CCCC4)CC5=CC=CC=C53)SCC6=CC=CC=C6
InChI=1SC28H31N3Sc131121(1241)20322729252314651322(23)1928(15781628)24(25)26(3027)311792101831h1361114H27101520H2
MFCD04180379
ZINC000002222272
ZINC02222272
ZINC2222272
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