Vitas-M small molecule compound

1-benzyl-5-[(chloroacetyl)amino]-N-methyl-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STK682373
SMILES ClCC(=O)Nc1n(nnc1C(=O)NC)Cc1ccccc1

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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 C13H14ClN5O2 MW 307.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN5O2/c1-15-13(21)11-12(16-10(20)7-14)19(18-17-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,21)(H,16,20)
InChIKey
YDFXIOCWUSHOJO-UHFFFAOYSA-N
Synonyms
632291-88-4
1BENZYL5((2CHLOROACETYL)AMINO)NMETHYLTRIAZOLE4CARBOXAMIDE
1benzyl5((chloroacetyl)amino)Nmethyl1H123triazole4carboxamide
1BENZYL5(2CHLOROACETAMIDO)NMETHYL123TRIAZOLE4CARBOXAMIDE
2CHLORON(4(NMETHYLCARBAMOYL)1BENZYL(123TRIAZOL5YL))ACETAMIDE
632291884
CNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)NC(=O)CCl
InChI=1SC13H14ClN5O2c11513(21)1112(1610(20)714)19(181711)89532469h26H78H21H3(H1521)(H1620)
MFCD03855684
ZINC000000111734
ZINC00111734
ZINC111734

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Available files

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