Vitas-M small molecule compound

2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-(morpholin-4-yl)propan-1-one

Catalog ID
STK557026
SMILES O=C(C(Sc1nc(nc2c1COC(C2)(C)C)c1ccccc1)C)N1CCOCC1

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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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-15(21(26)25-9-11-27-12-10-25)29-20-17-14-28-22(2,3)13-18(17)23-19(24-20)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKey
LDIMZXXJCUAZKH-UHFFFAOYSA-N
Synonyms
577987-03-2
(2S)2((77DIMETHYL2PHENYL78DIHYDRO5HPYRANO(43D)PYRIMIDIN4YL)SULFANYL)1(MORPHOLIN4YL)PROPAN1ONE
2((77DIMETHYL2PHENYL58DIHYDROPYRANO(43D)PYRIMIDIN4YL)SULFANYL)1MORPHOLIN4YLPROPAN1ONE
2((77dimethyl2phenyl78dihydro5Hpyrano(43d)pyrimidin4yl)sulfanyl)1(morpholin4yl)propan1one
2((77dimethyl2phenyl78dihydro5Hpyrano(43d)pyrimidin4yl)thio)1morpholinopropan1one
2(77DIMETHYL2PHENYL78DIHYDRO5HPYRANO(43D)PYRIMIDIN4YLSULFANYL)1MORPHOLIN4YLPROPAN1ONE
577987032
77DIMETHYL4((1METHYL2MORPHOLIN4YL2OXOETHYL)SULFANYL)2PHENYL78DIHYDRO5HPYRANO(43D)PYRIMIDINE
CC(C(=O)N1CCOCC1)SC2=NC(=NC3=C2COC(C3)(C)C)C4=CC=CC=C4
InChI=1SC22H27N3O3Sc115(21(26)2591127121025)292017142822(23)1318(17)2319(2420)167546816h4815H914H213H3
MFCD04022163
ZINC000002349102
ZINC000002349104

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.