Vitas-M small molecule compound

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

Catalog ID
STK552893
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

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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 C25H23N3OS MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3OS/c1-17-7-6-9-19(15-17)28-23(29)21-22(27-24(28)30-14-13-26)20-10-3-2-8-18(20)16-25(21)11-4-5-12-25/h2-3,6-10,15H,4-5,11-12,14,16H2,1H3
InChIKey
AITCAINRYVABIW-UHFFFAOYSA-N
Synonyms
799830-67-4
((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetonitrile
2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetonitrile
2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETONITRILE
799830674
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#N
InChI=1SC25H23N3OSc11776919(1517)2823(29)2122(2724(28)30141326)201032818(20)1625(21)11451225h2361015H4511121416H21H3
MFCD03684125
ZINC000002245714
ZINC02245714
ZINC2245714

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Available files

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