Vitas-M small molecule compound
(4-methoxyphenyl)[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
Catalog ID
STK979899
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=O)c1ccc(cc1)OC
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-3-12-29-21-23-19-17(24-25-21)15-6-4-5-7-16(15)22-20(28-19)18(26)13-8-10-14(27-2)11-9-13/h4-11,20,22H,3,12H2,1-2H3InChIKey
DHNRRYABRJSZFA-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)(3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)methanone
(4methoxyphenyl)(3propylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)methanone
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=O)C4=CC=C(C=C4)OC)N=N1
InChI=1SC21H20N4O3Sc13122921231917(242521)15645716(15)2220(2819)18(26)1381014(272)11913h4112022H312H212H3
MFCD02053832
ZINC000002747017
ZINC000002747018
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