Vitas-M small molecule compound
3-{[5-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STL351724
SMILES C=CCn1c(nnc1c1ccc(cc1)O)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-2-13-25-19(15-7-10-16(26)11-8-15)23-24-21(25)28-18-12-9-14-5-3-4-6-17(14)22-20(18)27/h2-8,10-11,18,26H,1,9,12-13H2,(H,22,27)InChIKey
WPFZZIGUALRILC-UHFFFAOYSA-NSynonyms
1040707-07-01040707070
3((4allyl5(4hydroxyphenyl)4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3((5(4hydroxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
MFCD12208083
ZINC000020731312
ZINC000020731315
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