Vitas-M small molecule compound

2-(4-chloro-3,5-dimethylphenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide

Catalog ID
STK917332
SMILES O=C(Nc1n[nH]cn1)COc1cc(C)c(c(c1)C)Cl

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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 C12H13ClN4O2 MW 280.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4O2/c1-7-3-9(4-8(2)11(7)13)19-5-10(18)16-12-14-6-15-17-12/h3-4,6H,5H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
JTVHVHKMSRVLFZ-UHFFFAOYSA-N
Synonyms
302805-06-7
2(4CHLORANYL35DIMETHYLPHENOXY)N(1H124TRIAZOL5YL)ETHANAMIDE
2(4chloro35dimethylphenoxy)N(1H124triazol3yl)acetamide
2(4CHLORO35DIMETHYLPHENOXY)N(1H124TRIAZOL5YL)ACETAMIDE
2(4CHLORO35DIMETHYLPHENOXY)N(2H(124)TRIAZOL3YL)ACETAMIDE
2(4chloro35dimethylphenoxy)N(4H124triazol3yl)acetamide
302805067
CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=NC=NN2
InChI=1SC12H13ClN4O2c1739(48(2)11(7)13)19510(18)1612146151712h346H5H212H3(H21415161718)
MFCD01985955
N(4H124TRIAZOL3YL)2(4CHLORO35DIMETHYLPHENOXY)ACETAMIDE
O=C(Nc1n(nH)cn1)COc1cc(C)c(c(c1)C)Cl
O=C(Nc1nnc(nH)1)COc1cc(C)c(c(c1)C)Cl
ZINC000000904302
ZINC904302

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Available files

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