Vitas-M small molecule compound

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

Catalog ID
STK530542
SMILES Cc1cccc(c1)n1c(SCc2ccccc2)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 C31H30N2OS MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2OS/c1-22-11-10-15-25(19-22)33-29(34)27-28(32-30(33)35-21-23-12-4-2-5-13-23)26-16-7-6-14-24(26)20-31(27)17-8-3-9-18-31/h2,4-7,10-16,19H,3,8-9,17-18,20-21H2,1H3
InChIKey
GDXIJPVSHSOVNM-UHFFFAOYSA-N
Synonyms

2(benzylsulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC31H30N2OSc12211101525(1922)3329(34)2728(3230(33)352123124251323)2616761424(26)2031(27)178391831h247101619H38917182021H21H3
MFCD01993029
ZINC000002295881
ZINC02295881
ZINC2295881

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Available files

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