Vitas-M small molecule compound

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

Catalog ID
STK550700
SMILES CCn1c(SCc2ccc(cc2)C)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/c1-3-29-25(30)23-24(28-26(29)31-18-20-13-11-19(2)12-14-20)22-10-6-5-9-21(22)17-27(23)15-7-4-8-16-27/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3
InChIKey
JUBQFBPRJFVMKF-UHFFFAOYSA-N
Synonyms
836626-72-3
3ethyl2((4methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ethyl2((4methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ETHYL2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
836626723
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)C
InChI=1SC27H30N2OSc132925(30)2324(2826(29)311820131119(2)121420)221065921(22)1727(23)157481627h56914H34781518H212H3
MFCD03688343
ZINC000009461580
ZINC09461580
ZINC9461580

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Available files

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