Vitas-M small molecule compound

4-(cyclopentylsulfanyl)-3-nitrobenzoic acid

Catalog ID
STK664907
SMILES [O-][N+](=O)c1cc(ccc1SC1CCCC1)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 C12H13NO4S MW 267.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO4S/c14-12(15)8-5-6-11(10(7-8)13(16)17)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKey
QFRRVRJMPRJHQD-UHFFFAOYSA-N
Synonyms
893764-79-9
(O)(N+)(=O)c1cc(ccc1SC1CCCC1)C(=O)O
4(cyclopentylsulfanyl)3nitrobenzoicacid
4(CYCLOPENTYLTHIO)3NITROBENZOICACID
4CYCLOPENTYLSULFANYL3NITROBENZOICACID
4CYCLOPENTYLTHIO3NITROBENZOICACID
893764799
C1CCC(C1)SC2=C(C=C(C=C2)C(=O)O)(N+)(=O)(O)
InChI=1SC12H13NO4Sc1412(15)85611(10(78)13(16)17)18931249h579H14H2(H1415)
MFCD07658083
ZINC000004779418
ZINC4779418

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Available files

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