Vitas-M small molecule compound
2-[(4-nitrophenyl)sulfanyl]benzoic acid
Catalog ID
STK164594
SMILES [O-][N+](=O)c1ccc(cc1)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 C13H9NO4S MW 275.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9NO4S/c15-13(16)11-3-1-2-4-12(11)19-10-7-5-9(6-8-10)14(17)18/h1-8H,(H,15,16)InChIKey
URNMGYXKADUUTL-UHFFFAOYSA-NSynonyms
20904-30-7(O)(N+)(=O)c1ccc(cc1)Sc1ccccc1C(=O)O
2((4NITROPHENYL)SULFANYL)BENZENECARBOXYLICACID
2((4NITROPHENYL)SULFANYL)BENZOICACID
2((4NITROPHENYL)THIO)BENZOICACID
2(4NITROPHENYL)SULFANYLBENZOICACID
2(4NITROPHENYLTHIO)BENZOICACID
20904307
C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC13H9NO4Sc1513(16)11312412(11)1910759(6810)14(17)18h18H(H1516)
MFCD00099081
ZINC000000173107
ZINC173107
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