Vitas-M small molecule compound

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

Catalog ID
STK835545
SMILES CCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)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 C27H30N2OS MW 430.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2OS/c1-3-16-31-26-28-24-22-13-6-5-11-20(22)18-27(14-7-4-8-15-27)23(24)25(30)29(26)21-12-9-10-19(2)17-21/h5-6,9-13,17H,3-4,7-8,14-16,18H2,1-2H3
InChIKey
HRALUCLEWHJLJE-UHFFFAOYSA-N
Synonyms

2(propylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3methylphenyl)2(propylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHYLPHENYL)2PROPYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC27H30N2OSc1316312628242213651120(22)1827(147481527)23(24)25(30)29(26)211291019(2)1721h5691317H3478141618H212H3
MFCD01993018
ZINC000002299287
ZINC02299287
ZINC2299287

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Available files

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