Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521894
SMILES CCSc1nnc2c(n1)OC(c1ccsc1)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 C18H16N4O2S2 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O2S2/c1-3-26-18-19-16-15(20-21-18)13-6-4-5-7-14(13)22(11(2)23)17(24-16)12-8-9-25-10-12/h4-10,17H,3H2,1-2H3InChIKey
DRGLXASPQJPWDU-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(thiophen3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6THIOPHEN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CSC=C4)C(=O)C)N=N1
InChI=1SC18H16N4O2S2c132618191615(202118)13645714(13)22(11(2)23)17(2416)1289251012h41017H3H212H3
MFCD03718429
ZINC000001120945
ZINC000001120947
ZINC01120947
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