Vitas-M small molecule compound
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK081773
SMILES O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nc(CSc2ccc(cc2)Cl)cc(=O)[nH]1
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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 C20H14Cl2F3N3O2S2 MW 520.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2F3N3O2S2/c21-11-1-4-14(5-2-11)31-9-13-8-17(29)28-19(27-13)32-10-18(30)26-12-3-6-16(22)15(7-12)20(23,24)25/h1-8H,9-10H2,(H,26,30)(H,27,28,29)InChIKey
XBCGRFDNGMUATM-UHFFFAOYSA-NSynonyms
2((4(((4CHLOROPHENYL)SULFANYL)METHYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2((6((4CHLOROPHENYL)SULFANYLMETHYL)4OXO1HPYRIMIDIN2YL)SULFANYL)N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C1=CC(=CC=C1SCC2=CC(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl
InChI=1SC20H14Cl2F3N3O2S2c21111414(5211)31913817(29)2819(2713)321018(30)26123616(22)15(712)20(2324)25h18H910H2(H2630)(H272829)
MFCD01950476
O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nc(CSc2ccc(cc2)Cl)cc(=O)(nH)1
STK081773
ZINC000001217753
ZINC1217753
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