Vitas-M small molecule compound
4-amino-2-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]pyrimidine-5-carboxylic acid
Catalog ID
STL303090
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1ncc(c(n1)N)C(=O)O
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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 C14H11F3N4O3S MW 372.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F3N4O3S/c15-14(16,17)7-2-1-3-8(4-7)20-10(22)6-25-13-19-5-9(12(23)24)11(18)21-13/h1-5H,6H2,(H,20,22)(H,23,24)(H2,18,19,21)InChIKey
HOXBISWVJMKQDI-UHFFFAOYSA-NSynonyms
4amino2((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)pyrimidine5carboxylicacid
4AMINO2(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYLPYRIMIDINE5CARBOXYLICACID
C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)O)C(F)(F)F
InChI=1SC14H11F3N4O3Sc1514(1617)72138(47)2010(22)625131959(12(23)24)11(18)2113h15H6H2(H2022)(H2324)(H2181921)
MFCD06753209
ZINC000004414378
ZINC4414378
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