Vitas-M small molecule compound
1-[6-(1,3-benzodioxol-5-yl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509253
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc3c(c1)OCO3)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 C25H26N4O4S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S/c1-3-4-5-8-13-34-25-26-23-22(27-28-25)18-9-6-7-10-19(18)29(16(2)30)24(33-23)17-11-12-20-21(14-17)32-15-31-20/h6-7,9-12,14,24H,3-5,8,13,15H2,1-2H3InChIKey
YQMYCVMYPQCEAL-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(13BENZODIOXOL5YL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLHEXYLSULFIDE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4)OCO5)C(=O)C)N=N1
InChI=1SC25H26N4O4Sc13458133425262322(272825)189671019(18)29(16(2)30)24(3323)1711122021(1417)32153120h679121424H3581315H212H3
MFCD03080316
ZINC000002104295
ZINC000002104298
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