Vitas-M small molecule compound

3-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one

Catalog ID
STK339751
SMILES COc1ccc(cc1)c1nc(SCCC(=O)N2CCOCC2)nc(c1)C(F)(F)F

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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 C19H20F3N3O3S MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N3O3S/c1-27-14-4-2-13(3-5-14)15-12-16(19(20,21)22)24-18(23-15)29-11-6-17(26)25-7-9-28-10-8-25/h2-5,12H,6-11H2,1H3
InChIKey
JBQOQFMAQHFESO-UHFFFAOYSA-N
Synonyms
510711-07-6
3((4(4METHOXYPHENYL)6(TRIFLUOROMETHYL)2PYRIMIDINYL)THIO)1(4MORPHOLINYL)1PROPANONE
3((4(4methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)1(morpholin4yl)propan1one
3((4(4METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)THIO)1MORPHOLINOPROPAN1ONE
3(4(4METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL1MORPHOLIN4YLPROPAN1ONE
3(4(4METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)1MORPHOLIN4YLPROPAN1ONE
3(4(4METHOXYPHENYL)6TRIFLUOROMETHYLPYRIMIDIN2YLSULFANYL)1MORPHOLIN4YLPROPAN1ONE
4(3((4(4METHOXYPHENYL)6(TRIFLUOROMETHYL)2PYRIMIDINYL)SULFANYL)PROPANOYL)MORPHOLINE
510711076
COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCOCC3)C(F)(F)F
InChI=1SC19H20F3N3O3Sc127144213(3514)151216(19(2021)22)2418(2315)2911617(26)25792810825h2512H611H21H3
MFCD03043200
ZINC000000920442
ZINC00920442
ZINC920442

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Available files

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