Vitas-M small molecule compound

methyl 2-({[(5-nitropyridin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK862709
SMILES COC(=O)c1ccccc1NC(=O)CSc1ccc(cn1)[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 C15H13N3O5S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5S/c1-23-15(20)11-4-2-3-5-12(11)17-13(19)9-24-14-7-6-10(8-16-14)18(21)22/h2-8H,9H2,1H3,(H,17,19)
InChIKey
HGSSGSZNIVJOQS-UHFFFAOYSA-N
Synonyms
824418-23-7
824418237
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)(N+)(=O)(O)
COC(=O)c1ccccc1NC(=O)CSc1ccc(cn1)(N+)(=O)(O)
InChI=1SC15H13N3O5Sc12315(20)11423512(11)1713(19)924147610(81614)18(21)22h28H9H21H3(H1719)
methyl2((((5nitropyridin2yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2(5NITROPYRIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
methyl2(2((5nitropyridin2yl)thio)acetamido)benzoate
MFCD04326208
ZINC000008743453
ZINC08743453
ZINC8743453

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Available files

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