Vitas-M small molecule compound
4-[3-(heptylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
Catalog ID
STK326321
SMILES CCCCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)C(=O)O
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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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-2-3-4-5-8-15-32-24-26-22-20(27-28-24)18-9-6-7-10-19(18)25-21(31-22)16-11-13-17(14-12-16)23(29)30/h6-7,9-14,21,25H,2-5,8,15H2,1H3,(H,29,30)InChIKey
GRUFQDVRCBFJQF-UHFFFAOYSA-NSynonyms
4(3(heptylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoicacid
4(3heptylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoicacid
CCCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)C(=O)O)N=N1
InChI=1SC24H26N4O3Sc123458153224262220(272824)189671019(18)2521(3122)16111317(141216)23(29)30h679142125H25815H21H3(H2930)
MFCD04230706
ZINC000101007255
ZINC000101007256
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