Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(5-iodofuran-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521542
SMILES CCSc1nnc2c(n1)OC(c1ccc(o1)I)N(c1c2cccc1)C(=O)C
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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 C18H15IN4O3S MW 494.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15IN4O3S/c1-3-27-18-20-16-15(21-22-18)11-6-4-5-7-12(11)23(10(2)24)17(26-16)13-8-9-14(19)25-13/h4-9,17H,3H2,1-2H3InChIKey
KTPXGDOLZVVSCV-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(5iodofuran2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(5IODOFURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)I)C(=O)C)N=N1
InChI=1SC18H15IN4O3Sc132718201615(212218)11645712(11)23(10(2)24)17(2616)138914(19)2513h4917H3H212H3
MFCD03709998
ZINC000001160102
ZINC000001160103
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