Vitas-M small molecule compound
N-{2-[3-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}-2-methylpropanamide
Catalog ID
STL572339
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nnc(c(=O)[nH]1)c1ccccc1NC(=O)C(C)C
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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 C22H22ClN5O3S MW 471.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3S/c1-12(2)20(30)25-16-7-5-4-6-15(16)19-21(31)26-22(28-27-19)32-11-18(29)24-17-10-14(23)9-8-13(17)3/h4-10,12H,11H2,1-3H3,(H,24,29)(H,25,30)(H,26,28,31)InChIKey
KJLHNRHPFDHSCU-UHFFFAOYSA-NSynonyms
135969582
InChI=1SC22H22ClN5O3Sc112(2)20(30)2516754615(16)1921(31)2622(282719)321118(29)24171014(23)9813(17)3h41012H11H213H3(H2429)(H2530)(H262831)
MFCD27589988
N(2(3((2((5chloro2methylphenyl)amino)2oxoethyl)sulfanyl)5oxo45dihydro124triazin6yl)phenyl)2methylpropanamide
N(2(3((2((5CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PHENYL)2METHYLPROPANAMIDE
N(2(3(2(5chloro2methylanilino)2oxoethyl)sulfanyl5oxo4H124triazin6yl)phenyl)2methylpropanamide
ZINC000064774565
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