Vitas-M small molecule compound
4-(1-cycloheptyl-3-hydroxy-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-4-yl)benzoic acid
Catalog ID
STL242228
SMILES CC1=Nc2c(C(S1)c1ccc(cc1)C(=O)O)c(nn2C1CCCCCC1)O
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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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-12-21-18-16(17(27-12)13-8-10-14(11-9-13)20(25)26)19(24)22-23(18)15-6-4-2-3-5-7-15/h8-11,15,17H,2-7H2,1H3,(H,22,24)(H,25,26)InChIKey
VUXUNMUTPQEOLB-UHFFFAOYSA-NSynonyms
1324081-19-71324081197
4(1cycloheptyl3hydroxy6methyl14dihydropyrazolo(34d)(13)thiazin4yl)benzoicacid
4(1cycloheptyl6methyl3oxo24dihydropyrazolo(34d)(13)thiazin4yl)benzoicacid
CC1=NC2=C(C(S1)C3=CC=C(C=C3)C(=O)O)C(=O)NN2C4CCCCCC4
InChI=1SC20H23N3O3Sc112211816(17(2712)1381014(11913)20(25)26)19(24)2223(18)1564235715h8111517H27H21H3(H2224)(H2526)
MFCD24859228
ZINC000071288027
ZINC000071288028
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