Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(furan-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK521564
SMILES CCCCSc1nnc2c(n1)OC(c1ccco1)N(c1c2cccc1)C(=O)CCC
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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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-3-5-14-30-22-23-20-19(24-25-22)15-10-6-7-11-16(15)26(18(27)9-4-2)21(29-20)17-12-8-13-28-17/h6-8,10-13,21H,3-5,9,14H2,1-2H3InChIKey
ILTJNACYTKLQOS-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(3butylsulfanyl6(furan2yl)6H(124)triazino(56d)(31)benzoxazepin7yl)butan1one
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CO4)C(=O)CCC)N=N1
InChI=1SC22H24N4O3Sc135143022232019(242522)1510671116(15)26(18(27)942)21(2920)17128132817h68101321H35914H212H3
MFCD04230916
ZINC000015016333
ZINC000015016334
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