Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-[(E)-2-(furan-2-yl)ethenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521797
SMILES CCSc1nnc2c(n1)OC(/C=C/c1ccco1)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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-3-28-20-21-19-18(22-23-20)15-8-4-5-9-16(15)24(13(2)25)17(27-19)11-10-14-7-6-12-26-14/h4-12,17H,3H2,1-2H3/b11-10+InChIKey
UIKPVYIZFRUWKN-ZHACJKMWSA-NSynonyms
1(3(ethylsulfanyl)6((E)2(furan2yl)ethenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6((E)2(FURAN2YL)ETHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C=CC4=CC=CO4)C(=O)C)N=N1
CCSc1nnc2c(n1)OC(C=Cc1ccco1)N(c1c2cccc1)C(=O)C
InChI=1SC20H18N4O3Sc132820211918(222320)15845916(15)24(13(2)25)17(2719)11101476122614h41217H3H212H3b1110+
MFCD02378068
ZINC000000795619
ZINC000000795621
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