Vitas-M small molecule compound
1-{6-[4-(diethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK326301
SMILES CCN(c1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2)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 C24H27N5O2S MW 449.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2S/c1-5-20(30)29-19-11-9-8-10-18(19)21-22(25-24(32-4)27-26-21)31-23(29)16-12-14-17(15-13-16)28(6-2)7-3/h8-15,23H,5-7H2,1-4H3InChIKey
KREZUXCDHBGJHE-UHFFFAOYSA-NSynonyms
1(6(4(diethylamino)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(4(DIETHYLAMINO)PHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)N(CC)CC
InChI=1SC24H27N5O2Sc1520(30)291911981018(19)2122(2524(324)272621)3123(29)16121417(151316)28(62)73h81523H57H214H3
MFCD02376904
NNDIETHYL4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)ANILINE
ZINC000000684272
ZINC000008453039
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