Vitas-M small molecule compound
4-(2-benzyl-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)benzoic acid
Catalog ID
STK170118
SMILES OC(=O)c1ccc(cc1)C1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1
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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 C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c24-21(25)17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)28(26,27)23(20)14-15-6-2-1-3-7-15/h1-13,20,22H,14H2,(H,24,25)InChIKey
HQWXHTVTKRGTHQ-UHFFFAOYSA-NSynonyms
4(11DIOXO2BENZYL3H4HBENZO(E)124THIADIAZAPERHYDROIN3YL)BENZOICACID
4(2BENZYL11DIOXIDO34DIHYDRO2H124BENZOTHIADIAZIN3YL)BENZOICACID
4(2benzyl11dioxo34dihydro1$l^(6)24benzothiadiazin3yl)benzoicacid
C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)C(=O)O
InChI=1SC21H18N2O4Sc2421(25)17121016(111317)202218845919(18)28(2627)23(20)14156213715h1132022H14H2(H2425)
MFCD03828306
ZINC000002502575
ZINC000002502576
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