Vitas-M small molecule compound
2-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)phenyl]benzamide
Catalog ID
STL271889
SMILES COc1ccccc1C(=O)Nc1ccc(cc1)c1nc2n(n1)CCCCC2
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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 C21H22N4O2 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2/c1-27-18-8-5-4-7-17(18)21(26)22-16-12-10-15(11-13-16)20-23-19-9-3-2-6-14-25(19)24-20/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H,22,26)InChIKey
BGUBWDJBYZGJSM-UHFFFAOYSA-NSynonyms
2methoxyN(4(6789tetrahydro5H(124)triazolo(15a)azepin2yl)phenyl)benzamide
COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN4CCCCCC4=N3
InChI=1SC21H22N4O2c12718854717(18)21(26)2216121015(111316)20231993261425(19)2420h45781013H236914H21H3(H2226)
MFCD08545216
N(4(5H6H7H8H9H124TRIAZOLO(15A)AZAPERHYDROEPIN2YL)PHENYL)(2METHOXYPHENYL)CARBOXAMIDE
ZINC000028527102
ZINC28527102
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