Vitas-M small molecule compound
1-{6-[2-(benzyloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509282
SMILES CSc1nnc2c(n1)OC(c1ccccc1OCc1ccccc1)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 C26H22N4O3S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S/c1-17(31)30-21-14-8-6-12-19(21)23-24(27-26(34-2)29-28-23)33-25(30)20-13-7-9-15-22(20)32-16-18-10-4-3-5-11-18/h3-15,25H,16H2,1-2H3InChIKey
UBWFKNVHVGUTEH-UHFFFAOYSA-NSynonyms
1(3METHYLSULFANYL6(2PHENYLMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(6(2(benzyloxy)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4OCC5=CC=CC=C5
InChI=1SC26H22N4O3Sc117(31)302114861219(21)2324(2726(342)292823)3325(30)2013791522(20)321618104351118h31525H16H212H3
MFCD02376384
ZINC000001168987
ZINC000012379463
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