Vitas-M small molecule compound

2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Catalog ID
STK028039
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc(N)cc(n1)N

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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 C13H12F3N5OS MW 343.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N5OS/c14-13(15,16)7-2-1-3-8(4-7)19-11(22)6-23-12-20-9(17)5-10(18)21-12/h1-5H,6H2,(H,19,22)(H4,17,18,20,21)
InChIKey
QHQKEFPPMPBIFN-UHFFFAOYSA-N
Synonyms
340811-27-0
2((46DIAMINO2PYRIMIDINYL)SULFANYL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2((46DIAMINOPYRIMIDIN2YL)SULFANYL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2((46diaminopyrimidin2yl)thio)N(3(trifluoromethyl)phenyl)acetamide
2(46DIAMINOPYRIMIDIN2YL)SULFANYLN(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2(46DIAMINOPYRIMIDIN2YLSULFANYL)N(3TRIFLUOROMETHYLPHENYL)ACETAMIDE
2(46DIAMINOPYRIMIDIN2YLTHIO)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
340811270
C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)C(F)(F)F
InChI=1SC13H12F3N5OSc1413(1516)72138(47)1911(22)62312209(17)510(18)2112h15H6H2(H1922)(H417182021)
MFCD01835725
O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc(N)cc(n1)N
STK028039
ZINC000000075722
ZINC00075722
ZINC75722

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Available files

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