Vitas-M small molecule compound
1-benzyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK786900
SMILES S=c1[nH]c(=O)c2c(n1Cc1ccccc1)NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccccc1
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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 C21H14F6N4OS MW 484.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F6N4OS/c22-20(23,24)19(21(25,26)27)14-16(28-15(30-19)13-9-5-2-6-10-13)31(18(33)29-17(14)32)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,28,30)(H,29,32,33)InChIKey
WDAAMUDSVRRMNI-UHFFFAOYSA-NSynonyms
1benzyl7phenyl2sulfanylidene55bis(trifluoromethyl)8Hpyrimido(45d)pyrimidin4one
1benzyl7phenyl2thioxo55bis(trifluoromethyl)2358tetrahydropyrimido(45d)pyrimidin4(1H)one
C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)C(N=C(N3)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F
InChI=1SC21H14F6N4OSc2220(2324)19(21(2526)27)1416(2815(3019)1395261013)31(18(33)2917(14)32)11127314812h110H11H2(H2830)(H293233)
MFCD06177121
S=c1(nH)c(=O)c2c(n1Cc1ccccc1)NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccccc1
ZINC000012376613
ZINC12376613
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