Vitas-M small molecule compound

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

Catalog ID
STK835401
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)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 C26H25N3O2S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O2S/c1-31-20-10-7-9-19(16-20)29-24(30)22-23(28-25(29)32-15-14-27)21-11-4-3-8-18(21)17-26(22)12-5-2-6-13-26/h3-4,7-11,16H,2,5-6,12-13,15,17H2,1H3
InChIKey
IYIASLBJLCLHKV-UHFFFAOYSA-N
Synonyms

((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(3(3METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N
InChI=1SC26H25N3O2Sc13120107919(1620)2924(30)2223(2825(29)32151427)211143818(21)1726(22)125261326h3471116H25612131517H21H3
MFCD02238716
ZINC000002296563
ZINC02296563
ZINC2296563

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Available files

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