Vitas-M small molecule compound
N'-{(E)-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-2-nitrobenzohydrazide
Catalog ID
STK465476
SMILES COc1ccc(cc1CSc1nc(C)cc(n1)C(F)F)/C=N/NC(=O)c1ccccc1[N+](=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 C22H19F2N5O4S MW 487.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F2N5O4S/c1-13-9-17(20(23)24)27-22(26-13)34-12-15-10-14(7-8-19(15)33-2)11-25-28-21(30)16-5-3-4-6-18(16)29(31)32/h3-11,20H,12H2,1-2H3,(H,28,30)/b25-11+InChIKey
ROUZUWJGFROQNK-OPEKNORGSA-NSynonyms
CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CC=C3(N+)(=O)(O))OC)C(F)F
COc1ccc(cc1CSc1nc(C)cc(n1)C(F)F)C=NNC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H19F2N5O4Sc113917(20(23)24)2722(2613)3412151014(7819(15)332)11252821(30)16534618(16)29(31)32h31120H12H212H3(H2830)b2511+
MFCD06758274
N((1E)2(3((4(DIFLUOROMETHYL)6METHYLPYRIMIDIN2YLTHIO)METHYL)4METHOXYPHENYL)1AZAVINYL)(2NITROPHENYL)CARBOXAMIDE
N((E)(3(((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)2nitrobenzohydrazide
N((E)(3((4(difluoromethyl)6methylpyrimidin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)2nitrobenzamide
ZINC000020353466
ZINC98054860
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