Vitas-M small molecule compound
4-(cyclohexylsulfanyl)-3-nitrobenzoic acid
Catalog ID
STK733150
SMILES [O-][N+](=O)c1cc(ccc1SC1CCCCC1)C(=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 C13H15NO4S MW 281.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO4S/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16)InChIKey
QBNAVGCTRZCBGQ-UHFFFAOYSA-NSynonyms
352523-83-2(O)(N+)(=O)c1cc(ccc1SC1CCCCC1)C(=O)O
352523832
4(cyclohexylsulfanyl)3nitrobenzoicacid
4(CYCLOHEXYLTHIO)3NITROBENZOICACID
4CYCLOHEXYLSULFANYL3NITROBENZOICACID
4CYCLOHEXYLTHIO3NITROBENZOICACID
C1CCC(CC1)SC2=C(C=C(C=C2)C(=O)O)(N+)(=O)(O)
InChI=1SC13H15NO4Sc1513(16)96712(11(89)14(17)18)19104213510h6810H15H2(H1516)
MFCD00683245
ZINC000004898817
ZINC4898817
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