Vitas-M small molecule compound
{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Catalog ID
STK805775
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)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/c1-17-8-10-19(11-9-17)28-23(29)21-22(27-24(28)30-15-14-26)20-7-3-2-6-18(20)16-25(21)12-4-5-13-25/h2-3,6-11H,4-5,12-13,15-16H2,1H3InChIKey
CXUBOGDFPBIABP-UHFFFAOYSA-NSynonyms
289711-68-8((3(4methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetonitrile
2((4oxo3(ptolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetonitrile
2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETONITRILE
289711688
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#N
InChI=1SC25H23N3OSc11781019(11917)2823(29)2122(2724(28)30151426)20732618(20)1625(21)12451325h23611H4512131516H21H3
MFCD01174965
ZINC000002208091
ZINC02208091
ZINC2208091
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