Vitas-M small molecule compound
N-(3-methoxy-5-nitrophenyl)-2-({5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK307884
SMILES COc1cc(NC(=O)CSc2nnc(n2CC2CCCO2)Cn2nccc2C)cc(c1)[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 C21H25N7O5S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O5S/c1-14-5-6-22-27(14)12-19-24-25-21(26(19)11-17-4-3-7-33-17)34-13-20(29)23-15-8-16(28(30)31)10-18(9-15)32-2/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3,(H,23,29)InChIKey
RMHVSAVXORWQBE-UHFFFAOYSA-NSynonyms
1005652-10-71005652107
CC1=CC=NN1CC2=NN=C(N2CC3CCCO3)SCC(=O)NC4=CC(=CC(=C4)OC)(N+)(=O)(O)
COc1cc(NC(=O)CSc2nnc(n2CC2CCCO2)Cn2nccc2C)cc(c1)(N+)(=O)(O)
InChI=1SC21H25N7O5Sc114562227(14)1219242521(26(19)11174373317)341320(29)2315816(28(30)31)1018(915)322h5681017H3471113H212H3(H2329)
MFCD06195403
N(3methoxy5nitrophenyl)2((5((5methyl1Hpyrazol1yl)methyl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(3methoxy5nitrophenyl)2((5((5methylpyrazol1yl)methyl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)acetamide
N(5METHOXY3NITROPHENYL)2(5((5METHYLPYRAZOLYL)METHYL)4(OXOLAN2YLMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000008782575
ZINC000008782576
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