Vitas-M small molecule compound

[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile

Catalog ID
STK526335
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)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 C26H25N3OS MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3OS/c27-15-16-31-25-28-23-21-12-6-5-11-20(21)17-26(13-7-2-8-14-26)22(23)24(30)29(25)18-19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-14,16-18H2
InChIKey
XWKNYQBLKSQUIU-UHFFFAOYSA-N
Synonyms
328068-53-7
((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
328068537
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CC5=CC=CC=C5
InChI=1SC26H25N3OSc271516312528232112651120(21)1726(137281426)22(23)24(30)29(25)181993141019h136912H27813141618H2
MFCD01174970
ZINC000002207974
ZINC02207974
ZINC2207974

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Available files

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