Vitas-M small molecule compound

2-[(4-methoxybenzyl)sulfanyl]butanedioic acid

Catalog ID
STK544326
SMILES COc1ccc(cc1)CSC(C(=O)O)CC(=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 C12H14O5S MW 270.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O5S/c1-17-9-4-2-8(3-5-9)7-18-10(12(15)16)6-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKey
GBDFKBKUDAOCJT-UHFFFAOYSA-N
Synonyms
91497-96-0
2((4methoxybenzyl)sulfanyl)butanedioicacid
2((4methoxybenzyl)thio)succinicacid
2((4METHOXYPHENYL)METHYLSULFANYL)BUTANEDIOICACID
2((4METHOXYPHENYL)METHYLTHIO)BUTANEDIOICACID
91497960
COC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O
InChI=1SC12H14O5Sc1179428(359)71810(12(15)16)611(13)14h2510H67H21H3(H1314)(H1516)
MFCD03288815
ZINC000004898894
ZINC000004898895

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Available files

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