Vitas-M small molecule compound
1-[3-(hexylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509256
SMILES CCCCCCSc1nnc2c(n1)OC(c1cccs1)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 C22H24N4O2S2 MW 440.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S2/c1-3-4-5-8-13-30-22-23-20-19(24-25-22)16-10-6-7-11-17(16)26(15(2)27)21(28-20)18-12-9-14-29-18/h6-7,9-12,14,21H,3-5,8,13H2,1-2H3InChIKey
RCMPQCKGDIPOLX-UHFFFAOYSA-NSynonyms
1(3(hexylsulfanyl)6(thiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6THIOPHEN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLHEXYLSULFIDE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CS4)C(=O)C)N=N1
InChI=1SC22H24N4O2S2c13458133022232019(242522)1610671117(16)26(15(2)27)21(2820)18129142918h679121421H35813H212H3
MFCD03080301
ZINC000002104245
ZINC000002104246
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