Vitas-M small molecule compound
7-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethoxy}spiro[chromene-2,1'-cyclohexan]-4(3H)-one
Catalog ID
STK623383
SMILES O=C(N1CCC(CC1)c1nc2c([nH]1)cccc2)COc1ccc2c(c1)OC1(CC2=O)CCCCC1
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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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c32-24-17-28(12-4-1-5-13-28)35-25-16-20(8-9-21(24)25)34-18-26(33)31-14-10-19(11-15-31)27-29-22-6-2-3-7-23(22)30-27/h2-3,6-9,16,19H,1,4-5,10-15,17-18H2,(H,29,30)InChIKey
WNQHKDIEJJFZBB-UHFFFAOYSA-NSynonyms
1013753-80-41013753804
7(2(4(1Hbenzimidazol2yl)piperidin1yl)2oxoethoxy)spiro(3Hchromene21cyclohexane)4one
7(2(4(1Hbenzimidazol2yl)piperidin1yl)2oxoethoxy)spiro(chromene21cyclohexan)4(3H)one
7(2(4(1Hbenzo(d)imidazol2yl)piperidin1yl)2oxoethoxy)spiro(chroman21cyclohexan)4one
C1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCC(CC4)C5=NC6=CC=CC=C6N5
InChI=1SC28H31N3O4c32241728(124151328)35251620(8921(24)25)341826(33)31141019(111531)272922623723(22)3027h23691619H14510151718H2(H2930)
O=C(N1CCC(CC1)c1nc2c((nH)1)cccc2)COc1ccc2c(c1)OC1(CC2=O)CCCCC1
ZINC000013682758
ZINC13682758
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