Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434196
SMILES CC1=Nc2c(C(S1)c1ccc3c(c1)OCO3)c(=O)[nH]n2C1CCCCC1
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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 C19H21N3O3S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3S/c1-11-20-18-16(19(23)21-22(18)13-5-3-2-4-6-13)17(26-11)12-7-8-14-15(9-12)25-10-24-14/h7-9,13,17H,2-6,10H2,1H3,(H,21,23)InChIKey
PFHJTRFTPKVTLI-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1cyclohexyl6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
4(13benzodioxol5yl)1cyclohexyl6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC4=C(C=C3)OCO4)C(=O)NN2C5CCCCC5
CC1=Nc2c(C(S1)c1ccc3c(c1)OCO3)c(=O)(nH)n2C1CCCCC1
InChI=1SC19H21N3O3Sc111201816(19(23)2122(18)135324613)17(2611)12781415(912)25102414h791317H2610H21H3(H2123)
MFCD26098639
ZINC000085411978
ZINC000085411981
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