Vitas-M small molecule compound
3-{3-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}propanoic acid
Catalog ID
STL267777
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(c(=O)[nH]1)CCC(=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 C15H12ClF3N4O4S MW 436.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClF3N4O4S/c16-8-2-1-7(15(17,18)19)5-10(8)20-11(24)6-28-14-21-13(27)9(22-23-14)3-4-12(25)26/h1-2,5H,3-4,6H2,(H,20,24)(H,25,26)(H,21,23,27)InChIKey
PSSSMJPZUZREGQ-UHFFFAOYSA-NSynonyms
896170-24-43(3((2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl)sulfanyl)5oxo45dihydro124triazin6yl)propanoicacid
3(3((2((2CHLORO5(TRIFLUOROMETHYL)PHENYL)AMINO)2OXOETHYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(3(2(2chloro5(trifluoromethyl)anilino)2oxoethyl)sulfanyl5oxo2H124triazin6yl)propanoicacid
896170244
C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O)Cl
InChI=1SC15H12ClF3N4O4Sc168217(15(1718)19)510(8)2011(24)628142113(27)9(222314)3412(25)26h125H346H2(H2024)(H2526)(H212327)
MFCD07651934
O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(c(=O)(nH)1)CCC(=O)O
ZINC000012347408
ZINC12347408
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