Vitas-M small molecule compound

2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-(2-methylpropyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK558094
SMILES CC(Cn1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

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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 C25H32N2OS MW 408.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2OS/c1-17(2)15-27-23(28)21-22(26-24(27)29-16-18(3)4)20-11-7-6-10-19(20)14-25(21)12-8-5-9-13-25/h6-7,10-11,17H,3,5,8-9,12-16H2,1-2,4H3
InChIKey
YPVAGFIRQZUGST-UHFFFAOYSA-N
Synonyms
585554-21-8
2((2methylprop2en1yl)sulfanyl)3(2methylpropyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2METHYLPROP2ENYLSULFANYL)3(2METHYLPROPYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3isobutyl2((2methylallyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
585554218
CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=C)C
InChI=1SC25H32N2OSc117(2)152723(28)2122(2624(27)291618(3)4)2011761019(20)1425(21)128591325h67101117H35891216H2124H3
MFCD04030099
ZINC000002391687
ZINC02391687
ZINC2391687

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Available files

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