Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-[4-(dimethylamino)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980017
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(cc1)N(C)C)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 C24H27N5O2S MW 449.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2S/c1-5-6-15-32-24-25-22-21(26-27-24)19-9-7-8-10-20(19)29(16(2)30)23(31-22)17-11-13-18(14-12-17)28(3)4/h7-14,23H,5-6,15H2,1-4H3InChIKey
JXTHBCDGFFAWGG-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(4(dimethylamino)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3butylsulfanyl6(4(dimethylamino)phenyl)6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
1(3BUTYLSULFANYL6(4DIMETHYLAMINOPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)N(C)C)C(=O)C)N=N1
InChI=1SC24H27N5O2Sc156153224252221(262724)199781020(19)29(16(2)30)23(3122)17111318(141217)28(3)4h71423H5615H214H3
MFCD02182523
N(4(7ACETYL3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)NNDIMETHYLAMINE
ZINC000002094216
ZINC000002094218
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