Vitas-M small molecule compound
2-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]acetamide
Catalog ID
STL409378
SMILES COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)Nc1[nH]nc(n1)Cc1ccc(cc1)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 C23H22FN5O4 MW 451.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN5O4/c1-32-18-10-15-7-8-29(22(31)12-16(15)11-19(18)33-2)13-21(30)26-23-25-20(27-28-23)9-14-3-5-17(24)6-4-14/h3-8,10-11H,9,12-13H2,1-2H3,(H2,25,26,27,28,30)InChIKey
KAEACGAFUHUBPX-UHFFFAOYSA-NSynonyms
1574296-51-71574296517
2(78dimethoxy2oxo12dihydro3H3benzazepin3yl)N(3(4fluorobenzyl)1H124triazol5yl)acetamide
2(78dimethoxy2oxo1H3benzazepin3yl)N(5((4fluorophenyl)methyl)1H124triazol3yl)acetamide
2(78dimethoxy2oxo1Hbenzo(d)azepin3(2H)yl)N(5(4fluorobenzyl)1H124triazol3yl)acetamide
COC1=C(C=C2C=CN(C(=O)CC2=C1)CC(=O)NC3=NNC(=N3)CC4=CC=C(C=C4)F)OC
COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)Nc1(nH)nc(n1)Cc1ccc(cc1)F
COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)Nc1n(nH)c(n1)Cc1ccc(cc1)F
InChI=1SC23H22FN5O4c1321810157829(22(31)1216(15)1119(18)332)1321(30)26232520(272823)9143517(24)6414h381011H91213H212H3(H22526272830)
MFCD30705684
ZINC000096231894
ZINC96231894
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