Vitas-M small molecule compound
2-{[2-(4-methylphenyl)-1,1-dioxido-3-oxo-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]methyl}benzonitrile
Catalog ID
STL190752
SMILES N#Cc1ccccc1CN1C(=O)N(c2ccc(cc2)C)S(=O)(=O)c2c1cccc2
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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 C22H17N3O3S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S/c1-16-10-12-19(13-11-16)25-22(26)24(15-18-7-3-2-6-17(18)14-23)20-8-4-5-9-21(20)29(25,27)28/h2-13H,15H2,1H3InChIKey
KVTAGHUJLURLGD-UHFFFAOYSA-NSynonyms
2((2(4METHYLPHENYL)113TRIOXO1
2((2(4methylphenyl)113trioxo1$l^(6)24benzothiadiazin4yl)methyl)benzonitrile
2((2(4methylphenyl)11dioxido3oxo23dihydro4H124benzothiadiazin4yl)methyl)benzonitrile
CC1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC=CC=C4C#N
InChI=1SC22H17N3O3Sc116101219(131116)2522(26)24(1518732617(18)1423)20845921(20)29(2527)28h213H15H21H3
MFCD06404812
ZINC000002715880
ZINC2715880
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