Vitas-M small molecule compound
1-[6-(3-methylthiophen-2-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520942
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1sccc1C
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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 C20H20N4O2S2 MW 412.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S2/c1-4-10-28-20-21-18-16(22-23-20)14-7-5-6-8-15(14)24(13(3)25)19(26-18)17-12(2)9-11-27-17/h5-9,11,19H,4,10H2,1-3H3InChIKey
QSNKVRIOQRXWPX-UHFFFAOYSA-NSynonyms
1(6(3methylthiophen2yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3METHYLTHIOPHEN2YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CS4)C)C(=O)C)N=N1
InChI=1SC20H20N4O2S2c14102820211816(222320)14756815(14)24(13(3)25)19(2618)1712(2)9112717h591119H410H213H3
MFCD02168418
ZINC000002978221
ZINC000002978222
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