Vitas-M small molecule compound

methyl 2-[({5-[4-(trifluoromethyl)phenyl]-2H-tetrazol-2-yl}acetyl)amino]benzoate

Catalog ID
STK743843
SMILES COC(=O)c1ccccc1NC(=O)Cn1nnc(n1)c1ccc(cc1)C(F)(F)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 C18H14F3N5O3 MW 405.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N5O3/c1-29-17(28)13-4-2-3-5-14(13)22-15(27)10-26-24-16(23-25-26)11-6-8-12(9-7-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,27)
InChIKey
IFKVVTYFZVRENX-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C(F)(F)F
InChI=1SC18H14F3N5O3c12917(28)13423514(13)2215(27)10262416(232526)116812(9711)18(1920)21h29H10H21H3(H2227)
methyl2(((5(4(trifluoromethyl)phenyl)2Htetrazol2yl)acetyl)amino)benzoate
METHYL2((2(5(4(TRIFLUOROMETHYL)PHENYL)TETRAZOL2YL)ACETYL)AMINO)BENZOATE
MFCD06017314
ZINC000004728041
ZINC04728041
ZINC4728041

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Available files

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