Vitas-M small molecule compound
1-[6-(5-bromothiophen-2-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521179
SMILES CCSc1nnc2c(n1)OC(c1ccc(s1)Br)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 C19H17BrN4O2S2 MW 477.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN4O2S2/c1-3-15(25)24-12-8-6-5-7-11(12)16-17(21-19(23-22-16)27-4-2)26-18(24)13-9-10-14(20)28-13/h5-10,18H,3-4H2,1-2H3InChIKey
OIPGQGCSNUBMEE-UHFFFAOYSA-NSynonyms
1(6(5bromothiophen2yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5bromothiophen2yl)3ethylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)propan1one
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC=C(S4)Br
InChI=1SC19H17BrN4O2S2c1315(25)2412865711(12)1617(2119(232216)2742)2618(24)1391014(20)2813h51018H34H212H3
MFCD04230718
ZINC000015016049
ZINC000015016050
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