Vitas-M small molecule compound

methyl 4-({[5-amino-1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoate

Catalog ID
STL094200
SMILES COC(=O)c1ccc(cc1)NC(=O)c1nnn(c1N)Cc1cccc(c1)F

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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 C18H16FN5O3 MW 369.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN5O3/c1-27-18(26)12-5-7-14(8-6-12)21-17(25)15-16(20)24(23-22-15)10-11-3-2-4-13(19)9-11/h2-9H,10,20H2,1H3,(H,21,25)
InChIKey
UVYSMZMNILGXIY-UHFFFAOYSA-N
Synonyms
899981-72-7
899981727
COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)F)N
InChI=1SC18H16FN5O3c12718(26)125714(8612)2117(25)1516(20)24(232215)101132413(19)911h29H1020H21H3(H2125)
methyl4(((5amino1(3fluorobenzyl)1H123triazol4yl)carbonyl)amino)benzoate
METHYL4((5AMINO1((3FLUOROPHENYL)METHYL)TRIAZOLE4CARBONYL)AMINO)BENZOATE
METHYL4(5AMINO1(3FLUOROBENZYL)1H123TRIAZOLE4CARBOXAMIDO)BENZOATE
MFCD07650508
ZINC000004852555
ZINC04852555
ZINC4852555

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Available files

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