Vitas-M small molecule compound
ethyl {[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Catalog ID
STK833111
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(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 C27H34N2O4S MW 482.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O4S/c1-4-32-21(30)17-34-25-28-23-20-10-6-5-9-18(20)15-27(12-7-8-13-27)22(23)24(31)29(25)19-11-14-33-26(2,3)16-19/h5-6,9-10,19H,4,7-8,11-17H2,1-3H3InChIKey
UBIKTFFWPBSAOM-UHFFFAOYSA-NSynonyms
303013-83-4303013834
CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52
ETHYL((3((4R)22DIMETHYLTETRAHYDRO2HPYRAN4YL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)2YL)SULFANYL)ACETATE
ethyl((3(22dimethyltetrahydro2Hpyran4yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetate
ethyl2((3(22dimethyltetrahydro2Hpyran4yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetate
ETHYL2(3(22DIMETHYLOXAN4YL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETATE
InChI=1SC27H34N2O4Sc143221(30)1734252823201065918(20)1527(12781327)22(23)24(31)29(25)1911143326(23)1619h5691019H4781117H213H3
ZINC000002060678
ZINC000002060679
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