Vitas-M small molecule compound
{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Catalog ID
STK805406
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)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 C26H25N3OS MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3OS/c1-18-9-11-20(12-10-18)29-24(30)22-23(28-25(29)31-16-15-27)21-8-4-3-7-19(21)17-26(22)13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-14,16-17H2,1H3InChIKey
FZULDKKSHIFTIT-UHFFFAOYSA-NSynonyms
289711-78-0((3(4methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((4oxo3(ptolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
289711780
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N
InChI=1SC26H25N3OSc11891120(121018)2924(30)2223(2825(29)31161527)21843719(21)1726(22)135261426h34712H25613141617H21H3
MFCD01174971
ZINC000002115827
ZINC02115827
ZINC2115827
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