Vitas-M small molecule compound
2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
Catalog ID
STK245638
SMILES COc1cc(ccc1NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccccc1F)[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 C20H19FN6O5S MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN6O5S/c1-26-17(10-18(28)22-14-6-4-3-5-13(14)21)24-25-20(26)33-11-19(29)23-15-8-7-12(27(30)31)9-16(15)32-2/h3-9H,10-11H2,1-2H3,(H,22,28)(H,23,29)InChIKey
CRCZYHIRODGBBW-UHFFFAOYSA-NSynonyms
2((5(2((2FLUOROPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(2METHOXY4NITROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)CC(=O)NC3=CC=CC=C3F
COc1cc(ccc1NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccccc1F)(N+)(=O)(O)
InChI=1SC20H19FN6O5Sc12617(1018(28)2214643513(14)21)242520(26)331119(29)23158712(27(30)31)916(15)322h39H1011H212H3(H2228)(H2329)
MFCD08670285
N(2FLUOROPHENYL)2(5((2METHOXY4NITROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ACETAMIDE
N(2fluorophenyl)2(5(2(2methoxy4nitroanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)acetamide
ZINC000009327706
ZINC09327706
ZINC9327706
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