Vitas-M small molecule compound

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

Catalog ID
STK833512
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)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 C27H27N3OS MW 441.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3OS/c28-16-18-32-26-29-24-22-12-6-5-11-21(22)19-27(14-7-2-8-15-27)23(24)25(31)30(26)17-13-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-15,17-19H2
InChIKey
KUJYAGWKVLBMSY-UHFFFAOYSA-N
Synonyms
332024-87-0
((4oxo3(2phenylethyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((4oxo3phenethyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2((CYANOMETHYL)SULFANYL)3(2PHENYLETHYL)56DIHYDRO4(3H)OXOSPIRO(BENZO(H)QUINAZOLIN51CYCLOHEXANE)
2(4OXO3(2PHENYLETHYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLTHIO)ETHANENITRILE
2(4oxo3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)2yl)sulfanylacetonitrile
2(4OXO3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
332024870
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CCC5=CC=CC=C5
InChI=1SC27H27N3OSc281618322629242212651121(22)1927(147281527)23(24)25(31)30(26)17132093141020h136912H27813151719H2
MFCD01175128
ZINC000002060630
ZINC02060630
ZINC2060630

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Available files

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