Vitas-M small molecule compound

N-(2,6-dimethylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STL018074
SMILES O=C(c1nnn(c1C)c1ccc2c(c1)c(on2)c1ccccc1)Nc1c(C)cccc1C

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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 C25H21N5O2 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O2/c1-15-8-7-9-16(2)22(15)26-25(31)23-17(3)30(29-27-23)19-12-13-21-20(14-19)24(32-28-21)18-10-5-4-6-11-18/h4-14H,1-3H3,(H,26,31)
InChIKey
XXQTZRZQNMJAOA-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC=C1)C)NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C
InChI=1SC25H21N5O2c11587916(2)22(15)2625(31)2317(3)30(292723)1912132120(1419)24(322821)18105461118h414H13H3(H2631)
MFCD10082055
N(26DIMETHYLPHENYL)(5METHYL1(3PHENYLBENZO(C)ISOXAZOL5YL)(123TRIAZOL4YL))CARBOXAMIDE
N(26dimethylphenyl)5methyl1(3phenyl21benzoxazol5yl)1H123triazole4carboxamide
N(26dimethylphenyl)5methyl1(3phenyl21benzoxazol5yl)triazole4carboxamide
ZINC000012274474
ZINC12274474

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Available files

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