Vitas-M small molecule compound

ethyl {5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}acetate

Catalog ID
STK177443
SMILES CCOC(=O)Cn1nc(nc1Sc1ccc(cc1)C)[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 C13H14N4O4S MW 322.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O4S/c1-3-21-11(18)8-16-13(14-12(15-16)17(19)20)22-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
HQFAXRQCDOZOFU-UHFFFAOYSA-N
Synonyms

CCOC(=O)CN1C(=NC(=N1)(N+)(=O)(O))SC2=CC=C(C=C2)C
CCOC(=O)Cn1nc(nc1Sc1ccc(cc1)C)(N+)(=O)(O)
ETHYL(5((4METHYLPHENYL)SULFANYL)3NITRO1H124TRIAZOL1YL)ACETATE
ETHYL2(5(4METHYLPHENYL)SULFANYL3NITRO124TRIAZOL1YL)ACETATE
InChI=1SC13H14N4O4Sc132111(18)81613(1412(1516)17(19)20)2210649(2)5710h47H38H212H3
MFCD04226292
ZINC000004704605
ZINC04704605
ZINC4704605

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Available files

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