Vitas-M small molecule compound
1-{6-[4-(dimethylamino)phenyl]-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509247
SMILES CCCCCCSc1nnc2c(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 C26H31N5O2S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2S/c1-5-6-7-10-17-34-26-27-24-23(28-29-26)21-11-8-9-12-22(21)31(18(2)32)25(33-24)19-13-15-20(16-14-19)30(3)4/h8-9,11-16,25H,5-7,10,17H2,1-4H3InChIKey
KNIFWUAYIPCTIA-UHFFFAOYSA-NSynonyms
1(6(4(dimethylamino)phenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4(dimethylamino)phenyl)3hexylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
1(6(4DIMETHYLAMINOPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)N(C)C)C(=O)C)N=N1
InChI=1SC26H31N5O2Sc156710173426272423(282926)2111891222(21)31(18(2)32)25(3324)19131520(161419)30(3)4h89111625H571017H214H3
MFCD03080304
N(4(7ACETYL3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)NNDIMETHYLAMINE
ZINC000002104248
ZINC000002104250
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