Vitas-M small molecule compound
3-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STL351451
SMILES COc1ccccc1c1nnc(n1c1ccccc1)SC1CCc2c(NC1=O)cccc2
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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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c1-31-21-14-8-6-12-19(21)23-27-28-25(29(23)18-10-3-2-4-11-18)32-22-16-15-17-9-5-7-13-20(17)26-24(22)30/h2-14,22H,15-16H2,1H3,(H,26,30)InChIKey
HPUYPXVHXXNHRX-UHFFFAOYSA-NSynonyms
1040707-94-51040707945
3((5(2methoxyphenyl)4phenyl124triazol3yl)sulfanyl)1345tetrahydro1benzazepin2one
3((5(2methoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((5(2methoxyphenyl)4phenyl4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC4CCC5=CC=CC=C5NC4=O
InChI=1SC25H22N4O2Sc1312114861219(21)23272825(29(23)18103241118)32221615179571320(17)2624(22)30h21422H1516H21H3(H2630)
MFCD12205761
ZINC000020717901
ZINC000020717905
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