Vitas-M small molecule compound
1-{6-[3-(benzyloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK326335
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cccc(c1)OCc1ccccc1
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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 C27H24N4O3S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S/c1-3-23(32)31-22-15-8-7-14-21(22)24-25(28-27(35-2)30-29-24)34-26(31)19-12-9-13-20(16-19)33-17-18-10-5-4-6-11-18/h4-16,26H,3,17H2,1-2H3InChIKey
PNHQKINWWAVDMP-UHFFFAOYSA-NSynonyms
1(3METHYLSULFANYL6(3PHENYLMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
1(6(3(benzyloxy)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
6(3(BENZYLOXY)PHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OCC5=CC=CC=C5
InChI=1SC27H24N4O3Sc1323(32)312215871421(22)2425(2827(352)302924)3426(31)191291320(1619)331718105461118h41626H317H212H3
MFCD03080379
ZINC000000684475
ZINC000000684476
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