Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Catalog ID
STK263326
SMILES O=C(C1CC(=O)N2N1C(C)(C)C(=O)N=C2S)Nc1ccc(c(c1)Cl)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 C15H14ClFN4O3S MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14ClFN4O3S/c1-15(2)13(24)19-14(25)20-11(22)6-10(21(15)20)12(23)18-7-3-4-9(17)8(16)5-7/h3-5,10H,6H2,1-2H3,(H,18,23)(H,19,24,25)InChIKey
TVQIGLBZPBMEQH-UHFFFAOYSA-NSynonyms
956156-24-4(44DIMETHYL38DIOXO1SULFANYLPYRAZOLIDINO(12A)124TRIAZIN6YL)N(3CHLORO4FLUOROPHENYL)CARBOXAMIDE
956156244
CC1(C(=O)NC(=S)N2N1C(CC2=O)C(=O)NC3=CC(=C(C=C3)F)Cl)C
InChI=1SC15H14ClFN4O3Sc115(2)13(24)1914(25)2011(22)610(21(15)20)12(23)187349(17)8(16)57h3510H6H212H3(H1823)(H192425)
MFCD08131867
N(3chloro4fluorophenyl)1mercapto44dimethyl38dioxo4678tetrahydro3Hpyrazolo(12a)(124)triazine6carboxamide
N(3chloro4fluorophenyl)44dimethyl38dioxo1sulfanyl3478tetrahydro6Hpyrazolo(12a)(124)triazine6carboxamide
N(3chloro4fluorophenyl)44dimethyl38dioxo1sulfanylidene67dihydropyrazolo(12a)(124)triazine6carboxamide
ZINC000009484207
ZINC000009484208
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