Vitas-M small molecule compound
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromo-2-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081555
SMILES Brc1ccc(c(c1)F)Cn1nnc(c1N)C(=O)NCc1ccc2c(c1)OCO2
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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 C18H15BrFN5O3 MW 448.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrFN5O3/c19-12-3-2-11(13(20)6-12)8-25-17(21)16(23-24-25)18(26)22-7-10-1-4-14-15(5-10)28-9-27-14/h1-6H,7-9,21H2,(H,22,26)InChIKey
OSLJXWQGUMGJRD-UHFFFAOYSA-NSynonyms
5AMINON(13BENZODIOXOL5YLMETHYL)1((4BROMO2FLUOROPHENYL)METHYL)TRIAZOLE4CARBOXAMIDE
5aminoN(13benzodioxol5ylmethyl)1(4bromo2fluorobenzyl)1H123triazole4carboxamide
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=C(C=C(C=C4)Br)F)N
InChI=1SC18H15BrFN5O3c19123211(13(20)612)82517(21)16(232425)18(26)22710141415(510)2892714h16H7921H2(H2226)
MFCD05899561
ZINC000002689549
ZINC02689549
ZINC2689549
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