Vitas-M small molecule compound
ethyl 2-chloro-5-({[(5-nitropyridin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL380855
SMILES CCOC(=O)c1cc(ccc1Cl)NC(=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 C16H14ClN3O5S MW 395.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3O5S/c1-2-25-16(22)12-7-10(3-5-13(12)17)19-14(21)9-26-15-6-4-11(8-18-15)20(23)24/h3-8H,2,9H2,1H3,(H,19,21)InChIKey
WBJGQMWRECNANN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=C(C=C2)(N+)(=O)(O))Cl
CCOC(=O)c1cc(ccc1Cl)NC(=O)CSc1ccc(cn1)(N+)(=O)(O)
ethyl2chloro5((((5nitropyridin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL2CHLORO5((2(5NITROPYRIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
ETHYL2CHLORO5(2(5NITRO(2PYRIDYLTHIO))ACETYLAMINO)BENZOATE
InChI=1SC16H14ClN3O5Sc122516(22)12710(3513(12)17)1914(21)926156411(81815)20(23)24h38H29H21H3(H1921)
MFCD06621094
ZINC000009235375
ZINC09235375
ZINC9235375
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