Vitas-M small molecule compound

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

Catalog ID
STK835481
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)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 C26H25N3OS MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3OS/c1-18-8-7-10-20(16-18)29-24(30)22-23(28-25(29)31-15-14-27)21-11-4-3-9-19(21)17-26(22)12-5-2-6-13-26/h3-4,7-11,16H,2,5-6,12-13,15,17H2,1H3
InChIKey
ALBDZYUIHVITIE-UHFFFAOYSA-N
Synonyms

((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N
InChI=1SC26H25N3OSc118871020(1618)2924(30)2223(2825(29)31151427)211143919(21)1726(22)125261326h3471116H25612131517H21H3
MFCD01993026
ZINC000002298447
ZINC02298447
ZINC2298447

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Available files

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