Vitas-M small molecule compound

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

Catalog ID
STK058889
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

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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 C26H34N2OS MW 422.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2OS/c1-4-5-11-16-30-25-27-23-21-13-8-7-12-20(21)17-26(14-9-6-10-15-26)22(23)24(29)28(25)18-19(2)3/h7-8,12-13H,2,4-6,9-11,14-18H2,1,3H3
InChIKey
GCMAKPMHQYZLCO-UHFFFAOYSA-N
Synonyms
328068-62-8
3(2methylallyl)2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHYLPROP2EN1YL)2(PENTYLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3(2METHYLPROP2ENYL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
328068628
CCCCCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42
CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
InChI=1SC26H34N2OSc1451116302527232113871220(21)1726(1496101526)22(23)24(29)28(25)1819(2)3h781213H2469111418H213H3
MFCD01557925
STK058889
ZINC000002207994
ZINC02207994
ZINC2207994

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.