Vitas-M small molecule compound
(5E)-5-{[2-(methylsulfanyl)pyrimidin-5-yl]methylidene}-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL439716
SMILES CSc1ncc(cn1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(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 C17H11F3N4O3S MW 408.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11F3N4O3S/c1-28-15-21-7-9(8-22-15)5-12-13(25)23-16(27)24(14(12)26)11-4-2-3-10(6-11)17(18,19)20/h2-8H,1H3,(H,23,25,27)/b12-5+InChIKey
HAKAPFJRIBHHGR-LFYBBSHMSA-NSynonyms
(5E)5((2(methylsulfanyl)pyrimidin5yl)methylidene)1(3(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
(5E)5((2METHYLSULFANYLPYRIMIDIN5YL)METHYLIDENE)1(3(TRIFLUOROMETHYL)PHENYL)13DIAZINANE246TRIONE
CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
CSc1ncc(cn1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F
InChI=1SC17H11F3N4O3Sc128152179(82215)51213(25)2316(27)24(14(12)26)1142310(611)17(1819)20h28H1H3(H232527)b125+
MFCD30712088
ZINC000001183145
ZINC1183145
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