Vitas-M small molecule compound
1-(3-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK771969
SMILES COc1cccc(c1)C(=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 C15H15N7O4S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N7O4S/c1-20-13(7-21-9-16-14(19-21)22(24)25)17-18-15(20)27-8-12(23)10-4-3-5-11(6-10)26-2/h3-6,9H,7-8H2,1-2H3InChIKey
OOBLHZCAOFLBBJ-UHFFFAOYSA-NSynonyms
1(3METHOXYPHENYL)2((4METHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(3methoxyphenyl)2((4methyl5((3nitro1H124triazol1yl)methyl)4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)CN3C=NC(=N3)(N+)(=O)(O)
COc1cccc(c1)C(=O)CSc1nnc(n1C)Cn1cnc(n1)(N+)(=O)(O)
InChI=1SC15H15N7O4Sc12013(72191614(1921)22(24)25)171815(20)27812(23)1043511(610)262h369H78H212H3
MFCD03767886
ZINC000012427821
ZINC12427821
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