Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK832778
SMILES C#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 C26H30N2O2S MW 434.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O2S/c1-4-15-31-24-27-22-20-10-6-5-9-18(20)16-26(12-7-8-13-26)21(22)23(29)28(24)19-11-14-30-25(2,3)17-19/h1,5-6,9-10,19H,7-8,11-17H2,2-3H3InChIKey
AEGANYGNGZWYMP-UHFFFAOYSA-NSynonyms
303740-49-03(22DIMETHYLOXAN4YL)2PROP2YNYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2(prop2yn1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(22dimethyltetrahydro2Hpyran4yl)2(prop2yn1ylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
303740490
CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#C)C
InChI=1SC26H30N2O2Sc141531242722201065918(20)1626(12781326)21(22)23(29)28(24)1911143025(23)1719h15691019H781117H223H3
ZINC000002239959
ZINC000002239960
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