Vitas-M small molecule compound

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

Catalog ID
STK549106
SMILES CCCn1c(SCc2ccccc2C)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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-3-17-30-26(31)24-25(29-27(30)32-19-22-13-6-5-11-20(22)2)23-14-8-7-12-21(23)18-28(24)15-9-4-10-16-28/h5-8,11-14H,3-4,9-10,15-19H2,1-2H3
InChIKey
JNEZLCMGFFNGIR-UHFFFAOYSA-N
Synonyms
4848-82-2
2((2methylbenzyl)sulfanyl)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2methylbenzyl)thio)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2METHYLPHENYL)METHYLSULFANYL)3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
4848822
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C
InChI=1SC28H32N2OSc13173026(31)2425(2927(30)32192213651120(22)2)2314871221(23)1828(24)1594101628h581114H349101519H212H3
MFCD03678619
ZINC000002224120
ZINC02224120
ZINC2224120

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Available files

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