Vitas-M small molecule compound
1-[6-(furan-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980084
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccco1
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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 C19H18N4O3S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S/c1-3-7-15(24)23-13-9-5-4-8-12(13)16-17(20-19(27-2)22-21-16)26-18(23)14-10-6-11-25-14/h4-6,8-11,18H,3,7H2,1-2H3InChIKey
ZXRDEPYICDZYAS-UHFFFAOYSA-NSynonyms
1(6(furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(2FURYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CO4
InChI=1SC19H18N4O3Sc13715(24)2313954812(13)1617(2019(272)222116)2618(23)14106112514h4681118H37H212H3
MFCD02952122
ZINC000000684636
ZINC000000684637
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