Vitas-M small molecule compound

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

Catalog ID
STK089726
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-32-21-11-9-19(10-12-21)18-30-25(31)23-24(29-26(30)33-16-15-28)22-8-4-3-7-20(22)17-27(23)13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-14,16-18H2,1H3
InChIKey
NTTVYGINOOIXSB-UHFFFAOYSA-N
Synonyms
337495-50-8
((3(4METHOXYBENZYL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)SULFANYL)ACETONITRILE
2((3(4methoxybenzyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(3((4METHOXYPHENYL)METHYL)4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLTHIO)ETHANENITRILE
2(3((4METHOXYPHENYL)METHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
337495508
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N
InChI=1SC27H27N3O2Sc1322111919(101221)183025(31)2324(2926(30)33161528)22843720(22)1727(23)135261427h34712H25613141618H21H3
MFCD01558927
N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)OC)CCCCC3
STK089726
ZINC000002254627
ZINC02254627
ZINC2254627

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Available files

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