Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520986
SMILES CCSc1nnc2c(n1)OC(c1ccc(s1)C)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 C19H18N4O2S2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O2S2/c1-4-26-19-20-17-16(21-22-19)13-7-5-6-8-14(13)23(12(3)24)18(25-17)15-10-9-11(2)27-15/h5-10,18H,4H2,1-3H3InChIKey
NRVKEIPDOWMYBT-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(5methylthiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(5METHYLTHIOPHEN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5METHYL2THIENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLETHYLSULFIDE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(S4)C)C(=O)C)N=N1
InChI=1SC19H18N4O2S2c142619201716(212219)13756814(13)23(12(3)24)18(2517)1510911(2)2715h51018H4H213H3
MFCD02222379
ZINC000000684188
ZINC000000684189
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