Vitas-M small molecule compound

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

Catalog ID
STK530789
SMILES CCCCCCSc1nc2c3ccccc3CC3(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 C30H36N2OS MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2OS/c1-3-4-5-11-19-34-29-31-27-25-16-8-7-14-23(25)21-30(17-9-6-10-18-30)26(27)28(33)32(29)24-15-12-13-22(2)20-24/h7-8,12-16,20H,3-6,9-11,17-19,21H2,1-2H3
InChIKey
ZKTVFWNCEBJIAQ-UHFFFAOYSA-N
Synonyms

2(hexylsulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(hexylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2HEXYLSULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H36N2OSc13451119342931272516871423(25)2130(1796101830)26(27)28(33)32(29)2415121322(2)2024h78121620H36911171921H212H3
MFCD01993023
ZINC000002297478
ZINC02297478
ZINC2297478

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Available files

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