Vitas-M small molecule compound

2-(hexylsulfanyl)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK531123
SMILES CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCC3

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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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-2-3-4-12-19-32-27-29-25-23-16-9-8-13-21(23)20-28(17-10-11-18-28)24(25)26(31)30(27)22-14-6-5-7-15-22/h5-9,13-16H,2-4,10-12,17-20H2,1H3
InChIKey
UFBQPOXZPJEMNZ-UHFFFAOYSA-N
Synonyms

2(hexylsulfanyl)3phenyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(hexylthio)3phenyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2HEXYLSULFANYL3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2OSc12341219322729252316981321(23)2028(1710111828)24(25)26(31)30(27)22146571522h591316H2410121720H21H3
MFCD01992961
ZINC000012437322
ZINC12437322

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Available files

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