Vitas-M small molecule compound
3-{[(9-chloro-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STL125895
SMILES N#Cc1cccc(c1)CSc1ncc2c(n1)c1cc(Cl)ccc1N(S2(=O)=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 C19H13ClN4O2S2 MW 428.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN4O2S2/c1-24-16-6-5-14(20)8-15(16)18-17(28(24,25)26)10-22-19(23-18)27-11-13-4-2-3-12(7-13)9-21/h2-8,10H,11H2,1H3InChIKey
DMIIEIZZYROESN-UHFFFAOYSA-NSynonyms
3(((9chloro6methyl55dioxido6Hpyrimido(54c)(21)benzothiazin2yl)sulfanyl)methyl)benzonitrile
3((9chloro6methyl55dioxopyrimido(54c)(21)benzothiazin2yl)sulfanylmethyl)benzonitrile
CN1C2=C(C=C(C=C2)Cl)C3=NC(=NC=C3S1(=O)=O)SCC4=CC=CC(=C4)C#N
InChI=1SC19H13ClN4O2S2c124166514(20)815(16)1817(28(2425)26)102219(2318)27111342312(713)921h2810H11H21H3
MFCD20738321
ZINC000067260109
ZINC67260109
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