Vitas-M small molecule compound

1-{5-[(3,4-dimethylphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one

Catalog ID
STK880221
SMILES CC(=O)Cc1nsc(n1)Nc1ccc(c(c1)C)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 C13H15N3OS MW 261.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3OS/c1-8-4-5-11(6-9(8)2)14-13-15-12(16-18-13)7-10(3)17/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKey
LFBCCITXRZJKPH-UHFFFAOYSA-N
Synonyms
1223879-45-5
1(5((34DIMETHYLPHENYL)AMINO)124THIADIAZOL3YL)ACETONE
1(5((34dimethylphenyl)amino)124thiadiazol3yl)propan2one
1(5(34dimethylanilino)124thiadiazol3yl)propan2one
1(5(34DIMETHYLPHENYLAMINO)(124)THIADIAZOL3YL)PROPAN2ONE
1223879455
CC1=C(C=C(C=C1)NC2=NC(=NS2)CC(=O)C)C
InChI=1SC13H15N3OSc184511(69(8)2)14131512(161813)710(3)17h46H7H213H3(H141516)
MFCD14703409
ZINC000040478811
ZINC40478811

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Available files

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