Vitas-M small molecule compound

5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STL094197
SMILES COc1cc(CCNC(=O)c2nnn(c2N)Cc2cccc(c2)F)ccc1OC

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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 C20H22FN5O3 MW 399.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN5O3/c1-28-16-7-6-13(11-17(16)29-2)8-9-23-20(27)18-19(22)26(25-24-18)12-14-4-3-5-15(21)10-14/h3-7,10-11H,8-9,12,22H2,1-2H3,(H,23,27)
InChIKey
WCCZNHDXUIFMAX-UHFFFAOYSA-N
Synonyms
923227-88-7
5aminoN(2(34dimethoxyphenyl)ethyl)1((3fluorophenyl)methyl)triazole4carboxamide
5aminoN(2(34dimethoxyphenyl)ethyl)1(3fluorobenzyl)1H123triazole4carboxamide
5AMINON(34DIMETHOXYPHENETHYL)1(3FLUOROBENZYL)1H123TRIAZOLE4CARBOXAMIDE
923227887
COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)F)N)OC
InChI=1SC20H22FN5O3c128167613(1117(16)292)892320(27)1819(22)26(252418)121443515(21)1014h371011H891222H212H3(H2327)
MFCD08538685
ZINC000009749085
ZINC09749085
ZINC9749085

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Available files

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