Vitas-M small molecule compound
3-butyl-2-(hexylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK548136
SMILES CCCCn1c(SCCCCCC)nc2c(c1=O)C1(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 C27H38N2OS MW 438.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2OS/c1-3-5-7-13-19-31-26-28-24-22-15-10-9-14-21(22)20-27(16-11-8-12-17-27)23(24)25(30)29(26)18-6-4-2/h9-10,14-15H,3-8,11-13,16-20H2,1-2H3InChIKey
VMUXNXMCLUXXCT-UHFFFAOYSA-NSynonyms
498535-50-53butyl2(hexylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2(hexylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2HEXYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
498535505
CCCCCCSC1=NC2=C(C(=O)N1CCCC)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC27H38N2OSc135713193126282422151091421(22)2027(16118121727)23(24)25(30)29(26)18642h9101415H3811131620H212H3
MFCD03301597
ZINC000002348369
ZINC02348369
ZINC2348369
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