Vitas-M small molecule compound

3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid

Catalog ID
STK526492
SMILES CSc1sc(c2c1C(=O)CCC2)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 C10H10O3S2 MW 242.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10O3S2/c1-14-10-7-5(3-2-4-6(7)11)8(15-10)9(12)13/h2-4H2,1H3,(H,12,13)
InChIKey
YUEPFPUBEDTMTC-UHFFFAOYSA-N
Synonyms
168279-58-1
168279581
3(methylsulfanyl)4oxo4567tetrahydro2benzothiophene1carboxylicacid
3(methylthio)4oxo4567tetrahydrobenzo(c)thiophene1carboxylicacid
3METHYLSULFANYL4OXO67DIHYDRO5H2BENZOTHIOPHENE1CARBOXYLICACID
3METHYLTHIO4OXO567TRIHYDROBENZO(12C)THIOPHENECARBOXYLICACID
CSC1=C2C(=C(S1)C(=O)O)CCCC2=O
InChI=1SC10H10O3S2c1141075(3246(7)11)8(1510)9(12)13h24H21H3(H1213)
MFCD00085142
ZINC000004338429
ZINC4338429

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Available files

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