Vitas-M small molecule compound
3-({[6-(4-methylbenzyl)-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL125923
SMILES N#Cc1cccc(c1)CSc1ncc2c(n1)c1ccccc1N(S2(=O)=O)Cc1ccc(cc1)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 C26H20N4O2S2 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O2S2/c1-18-9-11-19(12-10-18)16-30-23-8-3-2-7-22(23)25-24(34(30,31)32)15-28-26(29-25)33-17-21-6-4-5-20(13-21)14-27/h2-13,15H,16-17H2,1H3InChIKey
RUWRRQFCPCTLFS-UHFFFAOYSA-NSynonyms
3(((6(4methylbenzyl)55dioxido6Hpyrimido(54c)(21)benzothiazin2yl)sulfanyl)methyl)benzonitrile
3((6((4methylphenyl)methyl)55dioxopyrimido(54c)(21)benzothiazin2yl)sulfanylmethyl)benzonitrile
CC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NC(=NC=C4S2(=O)=O)SCC5=CC=CC(=C5)C#N
InChI=1SC26H20N4O2S2c11891119(121018)163023832722(23)2524(34(3031)32)152826(2925)33172164520(1321)1427h21315H1617H21H3
MFCD20738349
ZINC000067260163
ZINC67260163
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