Vitas-M small molecule compound
methyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK765032
SMILES COC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)[N+](=O)[O-])sc2c1CCCC2
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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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-30-21(27)18-14-9-5-6-10-16(14)31-20(18)22-19(26)15-11-17(25(28)29)23-24(15)12-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,22,26)InChIKey
TZAINAAUOWJSTR-UHFFFAOYSA-NSynonyms
403714-59-0403714590
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2cc(nn2Cc2ccccc2)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC21H20N4O5Sc13021(27)18149561016(14)3120(18)2219(26)151117(25(28)29)2324(15)12137324813h247811H5691012H21H3(H2226)
methyl2(((1benzyl3nitro1Hpyrazol5yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2benzyl5nitropyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02243835
ZINC000001067917
ZINC01067917
ZINC1067917
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