Vitas-M small molecule compound
1-cycloheptyl-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434261
SMILES COc1cc(cc2c1OCCO2)C1SC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)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 C22H27N3O4S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4S/c1-13-23-21-18(22(26)24-25(21)15-7-5-3-4-6-8-15)20(30-13)14-11-16(27-2)19-17(12-14)28-9-10-29-19/h11-12,15,20H,3-10H2,1-2H3,(H,24,26)InChIKey
VMDHHQUSQJARHD-UHFFFAOYSA-NSynonyms
1cycloheptyl4(5methoxy23dihydro14benzodioxin7yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
1cycloheptyl4(8methoxy23dihydro14benzodioxin6yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
CC1=NC2=C(C(S1)C3=CC4=C(C(=C3)OC)OCCO4)C(=O)NN2C5CCCCCC5
COc1cc(cc2c1OCCO2)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)C
InChI=1SC22H27N3O4Sc113232118(22(26)2425(21)1575346815)20(3013)141116(272)1917(1214)289102919h11121520H310H212H3(H2426)
MFCD26098685
ZINC000085412392
ZINC000085412397
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