Vitas-M small molecule compound
(5E)-5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL398313
SMILES Cn1cc(c(n1)C)N1C(=N/C(=C/c2ccc(o2)Cn2nc(c(c2C)[N+](=O)[O-])C)/C1=O)S
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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 C19H19N7O4S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N7O4S/c1-10-16(9-23(4)21-10)25-18(27)15(20-19(25)31)7-13-5-6-14(30-13)8-24-12(3)17(26(28)29)11(2)22-24/h5-7,9H,8H2,1-4H3,(H,20,31)/b15-7+InChIKey
HVBJEJJPMLHLFM-VIZOYTHASA-NSynonyms
1005655-82-2(5E)5((5((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)FURAN2YL)METHYLIDENE)3(13DIMETHYL1HPYRAZOL4YL)2SULFANYL35DIHYDRO4HIMIDAZOL4ONE
(5E)5((5((35dimethyl4nitropyrazol1yl)methyl)furan2yl)methylidene)3(13dimethylpyrazol4yl)2sulfanylideneimidazolidin4one
1005655822
CC1=C(C(=NN1CC2=CC=C(O2)C=C3C(=O)N(C(=S)N3)C4=CN(N=C4C)C)C)(N+)(=O)(O)
Cn1cc(c(n1)C)N1C(=NC(=Cc2ccc(o2)Cn2nc(c(c2C)(N+)(=O)(O))C)C1=O)S
InChI=1SC19H19N7O4Sc11016(923(4)2110)2518(27)15(2019(25)31)7135614(3013)82412(3)17(26(28)29)11(2)2224h579H8H214H3(H2031)b157+
MFCD04135151
ZINC000019633606
ZINC19633606
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