Vitas-M small molecule compound

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

Catalog ID
STK547273
SMILES CCCCn1c(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 C29H34N2OS MW 458.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2OS/c1-3-4-18-31-27(32)25-26(30-28(31)33-20-22-14-12-21(2)13-15-22)24-11-7-6-10-23(24)19-29(25)16-8-5-9-17-29/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3
InChIKey
SYMGQFZOBAOUQK-UHFFFAOYSA-N
Synonyms
488795-59-1
3butyl2((4methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2((4methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
488795591
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)C
InChI=1SC29H34N2OSc134183127(32)2526(3028(31)332022141221(2)131522)2411761023(24)1929(25)168591729h671015H35891620H212H3
MFCD03292782
ZINC000002342258
ZINC02342258
ZINC2342258

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Available files

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