Vitas-M small molecule compound

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

Catalog ID
STK551995
SMILES Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)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 C33H34N2OS MW 506.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2OS/c1-24-11-10-14-26(21-24)23-37-32-34-30-28-16-7-6-15-27(28)22-33(18-8-3-9-19-33)29(30)31(36)35(32)20-17-25-12-4-2-5-13-25/h2,4-7,10-16,21H,3,8-9,17-20,22-23H2,1H3
InChIKey
YPPHKWQSFHCVEU-UHFFFAOYSA-N
Synonyms
799808-08-5
2((3methylbenzyl)sulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((3methylbenzyl)thio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((3methylphenyl)methylsulfanyl)3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2((3METHYLPHENYL)METHYLSULFANYL)3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
799808085
CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC33H34N2OSc12411101426(2124)23373234302816761527(28)2233(188391933)29(30)31(36)35(32)201725124251325h247101621H38917202223H21H3
MFCD03679688
ZINC000002228957
ZINC02228957
ZINC2228957

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Available files

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