Vitas-M small molecule compound

4-(4-{[(4-tert-butylphenyl)sulfonyl]methyl}phenyl)-1,2,3-thiadiazole

Catalog ID
STK514378
SMILES O=S(=O)(c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)c1csnn1

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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 C19H20N2O2S2 MW 372.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O2S2/c1-19(2,3)16-8-10-17(11-9-16)25(22,23)13-14-4-6-15(7-5-14)18-12-24-21-20-18/h4-12H,13H2,1-3H3
InChIKey
IYFCTXRUJQTBMW-UHFFFAOYSA-N
Synonyms
1091760-46-1
1091760461
4(4(((4(tertbutyl)phenyl)sulfonyl)methyl)phenyl)123thiadiazole
4(4(((4tertbutylphenyl)sulfonyl)methyl)phenyl)123thiadiazole
4(4((4tertbutylphenyl)sulfonylmethyl)phenyl)thiadiazole
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C3=CSN=N3
InChI=1SC19H20N2O2S2c119(23)1681017(11916)25(2223)13144615(7514)181224212018h412H13H213H3
MFCD12216590
ZINC000019854924
ZINC19854924

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Available files

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