Vitas-M small molecule compound
4-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK436544
SMILES CCn1c(COc2ccc(c(c2)C)[N+](=O)[O-])nnc1S
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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 C12H14N4O3S MW 294.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O3S/c1-3-15-11(13-14-12(15)20)7-19-9-4-5-10(16(17)18)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,14,20)InChIKey
QTABNRLDLQKHAP-UHFFFAOYSA-NSynonyms
4ETHYL3((3METHYL4NITROPHENOXY)METHYL)1H124TRIAZOLE5THIONE
4ETHYL5((3METHYL4NITROPHENOXY)METHYL)124TRIAZOLE3THIOL
4ethyl5((3methyl4nitrophenoxy)methyl)4H124triazole3thiol
CCN1C(=NNC1=S)COC2=CC(=C(C=C2)(N+)(=O)(O))C
CCn1c(COc2ccc(c(c2)C)(N+)(=O)(O))nnc1S
InChI=1SC12H14N4O3Sc131511(131412(15)20)71994510(16(17)18)8(2)69h46H37H212H3(H1420)
MFCD03944384
ZINC000017023450
ZINC17023450
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