Vitas-M small molecule compound
3-{[(6-ethyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STL125865
SMILES N#Cc1cccc(c1)CSc1ncc2c(n1)c1ccccc1N(S2(=O)=O)CC
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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 C20H16N4O2S2 MW 408.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O2S2/c1-2-24-17-9-4-3-8-16(17)19-18(28(24,25)26)12-22-20(23-19)27-13-15-7-5-6-14(10-15)11-21/h3-10,12H,2,13H2,1H3InChIKey
YXJIAYFYRMZTAK-UHFFFAOYSA-NSynonyms
3(((6ethyl55dioxido6Hpyrimido(54c)(21)benzothiazin2yl)sulfanyl)methyl)benzonitrile
3((6ethyl55dioxopyrimido(54c)(21)benzothiazin2yl)sulfanylmethyl)benzonitrile
CCN1C2=CC=CC=C2C3=NC(=NC=C3S1(=O)=O)SCC4=CC=CC(=C4)C#N
InChI=1SC20H16N4O2S2c122417943816(17)1918(28(2425)26)122220(2319)27131575614(1015)1121h31012H213H21H3
MFCD20738291
ZINC000067260057
ZINC67260057
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