Vitas-M small molecule compound

N-(4-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK771964
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1C)Cn1cnc(n1)[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 C15H16N8O4S MW 404.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N8O4S/c1-21-12(7-22-9-16-14(20-22)23(25)26)18-19-15(21)28-8-13(24)17-10-3-5-11(27-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,24)
InChIKey
IAKCRAUBARKABZ-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CN3C=NC(=N3)(N+)(=O)(O)
COc1ccc(cc1)NC(=O)CSc1nnc(n1C)Cn1cnc(n1)(N+)(=O)(O)
InChI=1SC15H16N8O4Sc12112(72291614(2022)23(25)26)181915(21)28813(24)17103511(272)6410h369H78H212H3(H1724)
MFCD03767881
N(4METHOXYPHENYL)2((4METHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4METHOXYPHENYL)2((4METHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ETHANAMIDE
N(4METHOXYPHENYL)2((4METHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)THIO)ACETAMIDE
N(4methoxyphenyl)2((4methyl5((3nitro1H124triazol1yl)methyl)4H124triazol3yl)sulfanyl)acetamide
N(4METHOXYPHENYL)2((4METHYL5((3NITRO1H124TRIAZOL1YL)METHYL)4H124TRIAZOL3YL)THIO)ACETAMIDE
ZINC000003624454
ZINC03624454
ZINC3624454

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.