Vitas-M small molecule compound

3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylic acid

Catalog ID
STL131940
SMILES Cc1ccc(c(c1)N1CCN(CC1)S(=O)(=O)c1ccsc1C(=O)O)C

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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 C17H20N2O4S2 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4S2/c1-12-3-4-13(2)14(11-12)18-6-8-19(9-7-18)25(22,23)15-5-10-24-16(15)17(20)21/h3-5,10-11H,6-9H2,1-2H3,(H,20,21)
InChIKey
KTLWZIMESZXDJR-UHFFFAOYSA-N
Synonyms
1325303-47-6
1325303476
3((4(25dimethylphenyl)piperazin1yl)sulfonyl)thiophene2carboxylicacid
3(4(25dimethylphenyl)piperazin1yl)sulfonylthiophene2carboxylicacid
CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)O
InChI=1SC17H20N2O4S2c1123413(2)14(1112)186819(9718)25(2223)155102416(15)17(20)21h351011H69H212H3(H2021)
MFCD19105041
ZINC000067172510
ZINC67172510

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Available files

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