Vitas-M small molecule compound
1-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434176
SMILES CC1=Nc2c(C(S1)c1ccc3c(c1)OCCO3)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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-12-21-19-17(20(24)22-23(19)14-5-3-2-4-6-14)18(27-12)13-7-8-15-16(11-13)26-10-9-25-15/h7-8,11,14,18H,2-6,9-10H2,1H3,(H,22,24)InChIKey
MMSSCGFTNJMYKB-UHFFFAOYSA-NSynonyms
1cyclohexyl4(23dihydro14benzodioxin6yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cyclohexyl4(23dihydro14benzodioxin6yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC4=C(C=C3)OCCO4)C(=O)NN2C5CCCCC5
CC1=Nc2c(C(S1)c1ccc3c(c1)OCCO3)c(=O)(nH)n2C1CCCCC1
InChI=1SC20H23N3O3Sc112211917(20(24)2223(19)145324614)18(2712)13781516(1113)261092515h78111418H26910H21H3(H2224)
MFCD26098622
ZINC000085411877
ZINC000085411879
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