Vitas-M small molecule compound
2-{[1-(3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Catalog ID
STL019588
SMILES O=C1CC(C(=O)N1c1cccc(c1)[N+](=O)[O-])Sc1ccccc1C(=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 C17H12N2O6S MW 372.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O6S/c20-15-9-14(26-13-7-2-1-6-12(13)17(22)23)16(21)18(15)10-4-3-5-11(8-10)19(24)25/h1-8,14H,9H2,(H,22,23)InChIKey
BAHKJYFJWWEBLL-UHFFFAOYSA-NSynonyms
2(((3R)1(3NITROPHENYL)25DIOXOPYRROLIDIN3YL)SULFANYL)BENZOICACID
2(((3S)1(3NITROPHENYL)25DIOXOPYRROLIDIN3YL)SULFANYL)BENZOICACID
2((1(3nitrophenyl)25dioxopyrrolidin3yl)sulfanyl)benzoicacid
2(1(3NITROPHENYL)25DIOXOAZOLIDIN3YLTHIO)BENZOICACID
2(1(3NITROPHENYL)25DIOXOPYRROLIDIN3YL)SULFANYLBENZOICACID
C1C(C(=O)N(C1=O)C2=CC(=CC=C2)(N+)(=O)(O))SC3=CC=CC=C3C(=O)O
InChI=1SC17H12N2O6Sc2015914(2613721612(13)17(22)23)16(21)18(15)1043511(810)19(24)25h1814H9H2(H2223)
MFCD02970591
O=C1CC(C(=O)N1c1cccc(c1)(N+)(=O)(O))Sc1ccccc1C(=O)O
ZINC000000950780
ZINC000019863001
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