Vitas-M small molecule compound
1-[3-(pentylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STL482840
SMILES CCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c[nH]nc1c1ccccc1
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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 C26H26N6O2S MW 486.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O2S/c1-3-4-10-15-35-26-28-24-23(30-31-26)19-13-8-9-14-21(19)32(17(2)33)25(34-24)20-16-27-29-22(20)18-11-6-5-7-12-18/h5-9,11-14,16,25H,3-4,10,15H2,1-2H3,(H,27,29)InChIKey
XBQZXKYUISHTJB-UHFFFAOYSA-NSynonyms
1(3(pentylsulfanyl)6(3phenyl1Hpyrazol4yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3PENTYLSULFANYL6(5PHENYL1HPYRAZOL4YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(NN=C4)C5=CC=CC=C5)C(=O)C)N=N1
CCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(nH)nc1c1ccccc1
InChI=1SC26H26N6O2Sc13410153526282423(303126)1913891421(19)32(17(2)33)25(3424)2016272922(20)18116571218h5911141625H341015H212H3(H2729)
MFCD02376937
ZINC000008694493
ZINC000008694494
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