Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3,6-dimethyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazine
Catalog ID
STK692830
SMILES CC1=Nc2c(C(S1)c1ccc3c(c1)OCO3)c(nn2c1ccc(cc1)F)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 C20H16FN3O2S MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O2S/c1-11-18-19(13-3-8-16-17(9-13)26-10-25-16)27-12(2)22-20(18)24(23-11)15-6-4-14(21)5-7-15/h3-9,19H,10H2,1-2H3InChIKey
YQMVIJOFYICFTP-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(4fluorophenyl)36dimethyl14dihydropyrazolo(34d)(13)thiazine
4(13benzodioxol5yl)1(4fluorophenyl)36dimethyl4Hpyrazolo(34d)(13)thiazine
CC1=NN(C2=C1C(SC(=N2)C)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F
InChI=1SC20H16FN3O2Sc1111819(13381617(913)26102516)2712(2)2220(18)24(2311)156414(21)5715h3919H10H212H3
MFCD10038847
ZINC000015084941
ZINC000015084943
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