Vitas-M small molecule compound

1-(2,4-dimethylphenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea

Catalog ID
STK494113
SMILES S=C(Nc1ccc(cc1C)C)Nn1cnnc1

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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 C11H13N5S MW 247.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N5S/c1-8-3-4-10(9(2)5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
InChIKey
XDCCFDFYIBYJKP-UHFFFAOYSA-N
Synonyms
30990-69-3
((24DIMETHYLPHENYL)AMINO)(124TRIAZOL4YLAMINO)METHANE1THIONE
1(24DIMETHYLPHENYL)3(124TRIAZOL4YL)THIOUREA
1(24dimethylphenyl)3(4H124triazol4yl)thiourea
30990693
CC1=CC(=C(C=C1)NC(=S)NN2C=NN=C2)C
InChI=1SC11H13N5Sc183410(9(2)58)1411(17)151661213716h37H12H3(H2141517)
MFCD06075021
ZINC000013839919
ZINC13839919

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Available files

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