Vitas-M small molecule compound

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

Catalog ID
STK060054
SMILES CCn1c(SCCc2ccccc2)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 C27H30N2OS MW 430.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2OS/c1-2-29-25(30)23-24(28-26(29)31-18-15-20-11-5-3-6-12-20)22-14-8-7-13-21(22)19-27(23)16-9-4-10-17-27/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3
InChIKey
OZQBPIDBWUJYGF-UHFFFAOYSA-N
Synonyms

3ETHYL2((2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3ethyl2(2phenylethylsulfanyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
3ETHYL2(2PHENYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3ethyl2(phenethylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ETHYL2PHENETHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5
CCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC27H30N2OSc122925(30)2324(2826(29)31181520115361220)2214871321(22)1927(23)1694101727h3581114H249101519H21H3
MFCD01807046
STK060054
ZINC000001794024
ZINC01794024
ZINC1794024

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Available files

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