Vitas-M small molecule compound

3-(2-methyl-4,5-diphenyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate

Catalog ID
STK363028
SMILES Cc1sc(c([n+]1CCCS(=O)(=O)[O-])c1ccccc1)c1ccccc1

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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 C19H19NO3S2 MW 373.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO3S2/c1-15-20(13-8-14-25(21,22)23)18(16-9-4-2-5-10-16)19(24-15)17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3
InChIKey
DNTIJDZVBWOXTB-UHFFFAOYSA-N
Synonyms

3(2methyl45diphenyl13thiazol3ium3yl)propane1sulfonate
3(2METHYL45DIPHENYL13THIAZOL3YL)PROPANESULFONICACID
CC1=(N+)(C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)CCCS(=O)(=O)(O)
Cc1sc(c((n+)1CCCS(=O)(=O)(O))c1ccccc1)c1ccccc1
InChI=1SC19H19NO3S2c11520(1381425(2122)23)18(1694251016)19(2415)17116371217h27912H81314H21H3
MFCD00227230
ZINC000001883763
ZINC01883763

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Available files

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