Vitas-M small molecule compound
4-{2-[(2-fluorobenzyl)oxy]phenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434244
SMILES CC1=Nc2c(C(S1)c1ccccc1OCc1ccccc1F)c(=O)[nH]n2C(C)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 C22H22FN3O2S MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O2S/c1-13(2)26-21-19(22(27)25-26)20(29-14(3)24-21)16-9-5-7-11-18(16)28-12-15-8-4-6-10-17(15)23/h4-11,13,20H,12H2,1-3H3,(H,25,27)InChIKey
XIEAMKGPTGTQND-UHFFFAOYSA-NSynonyms
4(2((2fluorobenzyl)oxy)phenyl)6methyl1(propan2yl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
4(2((2fluorophenyl)methoxy)phenyl)6methyl1propan2yl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC=CC=C3OCC4=CC=CC=C4F)C(=O)NN2C(C)C
CC1=Nc2c(C(S1)c1ccccc1OCc1ccccc1F)c(=O)(nH)n2C(C)C
InChI=1SC22H22FN3O2Sc113(2)262119(22(27)2526)20(2914(3)2421)169571118(16)2812158461017(15)23h4111320H12H213H3(H2527)
MFCD26098668
ZINC000085412265
ZINC000085412269
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