Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-butyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK547120
SMILES CCCCn1c(SCC(=O)c2ccc(cc2)Br)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 C29H31BrN2O2S MW 551.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrN2O2S/c1-2-3-17-32-27(34)25-26(31-28(32)35-19-24(33)20-11-13-22(30)14-12-20)23-10-6-5-9-21(23)18-29(25)15-7-4-8-16-29/h5-6,9-14H,2-4,7-8,15-19H2,1H3InChIKey
YQXCDIJEOAMDLP-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3butyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3butyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3BUTYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Br
InChI=1SC29H31BrN2O2Sc123173227(34)2526(3128(32)351924(33)20111322(30)141220)231065921(23)1829(25)157481629h56914H24781519H21H3
MFCD03289905
ZINC000002549799
ZINC2549799
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