Vitas-M small molecule compound
{[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Catalog ID
STK833036
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)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 C25H29N3O2S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S/c1-24(2)16-18(9-13-30-24)28-22(29)20-21(27-23(28)31-14-12-26)19-8-4-3-7-17(19)15-25(20)10-5-6-11-25/h3-4,7-8,18H,5-6,9-11,13-16H2,1-2H3InChIKey
CNXKGAYZXKRWOO-UHFFFAOYSA-NSynonyms
303089-17-0((3((4R)22DIMETHYLTETRAHYDRO2HPYRAN4YL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)2YL)SULFANYL)ACETONITRILE
((3(22dimethyltetrahydro2Hpyran4yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetonitrile
2((3(22dimethyltetrahydro2Hpyran4yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetonitrile
2(3(22DIMETHYLOXAN4YL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETONITRILE
303089170
CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#N)C
InChI=1SC25H29N3O2Sc124(2)1618(9133024)2822(29)2021(2723(28)31141226)19843717(19)1525(20)10561125h347818H569111316H212H3
ZINC000002350868
ZINC000002350870
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