Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(furan-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521237
SMILES CCSc1nnc2c(n1)OC(c1ccco1)N(c1c2cccc1)C(=O)CC
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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 C19H18N4O3S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S/c1-3-15(24)23-13-9-6-5-8-12(13)16-17(20-19(22-21-16)27-4-2)26-18(23)14-10-7-11-25-14/h5-11,18H,3-4H2,1-2H3InChIKey
QLBWSFDFXYAIPF-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3ETHYLSULFANYL6(FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC=CO4
ETHYL6(2FURYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
InChI=1SC19H18N4O3Sc1315(24)2313965812(13)1617(2019(222116)2742)2618(23)14107112514h51118H34H212H3
MFCD03080421
ZINC000000684582
ZINC000000684583
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