Vitas-M small molecule compound
3-butyl-2-[(2-chlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK555228
SMILES CCCCn1c(SCc2ccccc2Cl)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 C28H31ClN2OS MW 479.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN2OS/c1-2-3-17-31-26(32)24-25(30-27(31)33-19-21-12-6-8-14-23(21)29)22-13-7-5-11-20(22)18-28(24)15-9-4-10-16-28/h5-8,11-14H,2-4,9-10,15-19H2,1H3InChIKey
GXIKXINOSSNBNG-UHFFFAOYSA-NSynonyms
840512-43-83butyl2((2chlorobenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2((2chlorobenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2((2CHLOROPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
840512438
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5Cl
InChI=1SC28H31ClN2OSc123173126(32)2425(3027(31)33192112681423(21)29)2213751120(22)1828(24)1594101628h581114H249101519H21H3
MFCD04009745
ZINC000002265900
ZINC02265900
ZINC2265900
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