Vitas-M small molecule compound

3-(3-bromophenyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK531618
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)Br)CCCCC3

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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 C28H31BrN2OS MW 523.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31BrN2OS/c1-2-3-9-17-33-27-30-25-23-14-6-5-11-20(23)19-28(15-7-4-8-16-28)24(25)26(32)31(27)22-13-10-12-21(29)18-22/h5-6,10-14,18H,2-4,7-9,15-17,19H2,1H3
InChIKey
RTVOWPLEGLIFLT-UHFFFAOYSA-N
Synonyms

3(3bromophenyl)2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H31BrN2OSc123917332730252314651120(23)1928(157481628)24(25)26(32)31(27)2213101221(29)1822h56101418H2479151719H21H3
MFCD02763768
ZINC000001782614
ZINC01782614
ZINC1782614

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Available files

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