Vitas-M small molecule compound
1-cyclohexyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434195
SMILES COc1cc(cc2c1OCO2)C1SC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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 C20H23N3O4S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4S/c1-11-21-19-16(20(24)22-23(19)13-6-4-3-5-7-13)18(28-11)12-8-14(25-2)17-15(9-12)26-10-27-17/h8-9,13,18H,3-7,10H2,1-2H3,(H,22,24)InChIKey
IJCJIJCDRBYSMA-UHFFFAOYSA-NSynonyms
1cyclohexyl4(7methoxy13benzodioxol5yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cyclohexyl4(7methoxy13benzodioxol5yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC4=C(C(=C3)OC)OCO4)C(=O)NN2C5CCCCC5
COc1cc(cc2c1OCO2)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCC1)C
InChI=1SC20H23N3O4Sc111211916(20(24)2223(19)136435713)18(2811)12814(252)1715(912)26102717h891318H3710H212H3(H2224)
MFCD26098638
ZINC000085411973
ZINC000085411976
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