Vitas-M small molecule compound
2-(benzylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK833278
SMILES O=c1n(CC2CCCCC2)c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1
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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 C31H36N2OS MW 484.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2OS/c34-29-27-28(26-17-9-8-16-25(26)20-31(27)18-10-3-11-19-31)32-30(35-22-24-14-6-2-7-15-24)33(29)21-23-12-4-1-5-13-23/h2,6-9,14-17,23H,1,3-5,10-13,18-22H2InChIKey
LLKGNNQKVBUXDH-UHFFFAOYSA-NSynonyms
312626-13-42(benzylsulfanyl)3(cyclohexylmethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(BENZYLSULFANYL)3(CYCLOHEXYLMETHYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
2(benzylthio)3(cyclohexylmethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3(CYCLOHEXYLMETHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
312626134
C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC31H36N2OSc34292728(2617981625(26)2031(27)18103111931)3230(352224146271524)33(29)2123124151323h269141723H13510131822H2
MFCD00688858
ZINC000001800254
ZINC01800254
ZINC1800254
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