Vitas-M small molecule compound

3-[(4-nitrobenzyl)sulfanyl]propanoic acid

Catalog ID
STK806605
SMILES OC(=O)CCSCc1ccc(cc1)[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 C10H11NO4S MW 241.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H11NO4S/c12-10(13)5-6-16-7-8-1-3-9(4-2-8)11(14)15/h1-4H,5-7H2,(H,12,13)
InChIKey
TVPMRBXCJXXUNL-UHFFFAOYSA-N
Synonyms
7597-44-6
3((4nitrobenzyl)sulfanyl)propanoicacid
3((4NITROPHENYL)METHYLSULFANYL)PROPANOICACID
3((4NITROPHENYL)METHYLTHIO)PROPANOICACID
7597446
C1=CC(=CC=C1CSCCC(=O)O)(N+)(=O)(O)
InChI=1SC10H11NO4Sc1210(13)561678139(428)11(14)15h14H57H2(H1213)
MFCD01056485
OC(=O)CCSCc1ccc(cc1)(N+)(=O)(O)
PROPANOICACID3(((4NITROPHENYL)METHYL)THIO)
ZINC000001687695
ZINC1687695

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Available files

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