Vitas-M small molecule compound
phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
Catalog ID
STL169705
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=O)c1ccccc1
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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-2-12-27-20-22-18-16(23-24-20)14-10-6-7-11-15(14)21-19(26-18)17(25)13-8-4-3-5-9-13/h3-11,19,21H,2,12H2,1H3InChIKey
XOBAAWLRHOXZHB-UHFFFAOYSA-NSynonyms
329218-84-0329218840
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=O)C4=CC=CC=C4)N=N1
InChI=1SC20H18N4O2Sc12122720221816(232420)1410671115(14)2119(2618)17(25)138435913h3111921H212H21H3
MFCD01019017
phenyl(3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)methanone
PHENYL(3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)METHANONE
PHENYL3PROPYLTHIO(6H7HBENZO(D)124TRIAZINO(65F)13OXAZEPIN6YL)KETONE
ZINC000002771689
ZINC000002771690
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