Vitas-M small molecule compound
S-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl} sulfurothioate
Catalog ID
STK870242
SMILES O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSS(=O)(=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 C13H14N3O5S2 MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O5S2/c1-9-12(14-11(17)8-22-23(19,20)21)13(18)16(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,17)(H,19,20,21)/p-1InChIKey
ZPSWXOKURFPESZ-UHFFFAOYSA-MSynonyms
((N(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))CARBAMOYL)METHYL)THIOSULFONICACID
15DIMETHYL3OXO2PHENYL4((2SULFONATOSULFANYLACETYL)AMINO)PYRAZOLE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSS(=O)(=O)(O)
InChI=1SC13H15N3O5S2c1912(1411(17)82223(1920)21)13(18)16(15(9)2)106435710h37H8H212H3(H1417)(H192021)p1
O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSS(=O)(=O)(O)
S(2((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)2oxoethyl)sulfurothioate
ZINC000002186309
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