Vitas-M small molecule compound
3-butyl-2-[(4-chlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK547527
SMILES CCCCn1c(SCc2ccc(cc2)Cl)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)33-19-20-11-13-22(29)14-12-20)23-10-6-5-9-21(23)18-28(24)15-7-4-8-16-28/h5-6,9-14H,2-4,7-8,15-19H2,1H3InChIKey
YTXQQYSVVJFBOX-UHFFFAOYSA-NSynonyms
489464-69-93butyl2((4chlorobenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2((4chlorobenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2((4CHLOROPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
489464699
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)Cl
InChI=1SC28H31ClN2OSc123173126(32)2425(3027(31)331920111322(29)141220)231065921(23)1828(24)157481628h56914H24781519H21H3
MFCD03297785
ZINC000002284330
ZINC02284330
ZINC2284330
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