Vitas-M small molecule compound
4-[1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-4-yl]benzoic acid
Catalog ID
STL407980
SMILES CC1=Nc2c(C(S1)c1ccc(cc1)C(=O)O)c(nn2C1CCOC(C1)(C)C)O
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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/c1-11-21-17-15(16(28-11)12-4-6-13(7-5-12)19(25)26)18(24)22-23(17)14-8-9-27-20(2,3)10-14/h4-7,14,16H,8-10H2,1-3H3,(H,22,24)(H,25,26)InChIKey
NCUWQEGFHQDSOK-UHFFFAOYSA-NSynonyms
1574377-92-61574377926
4(1(22dimethyloxan4yl)6methyl3oxo24dihydropyrazolo(34d)(13)thiazin4yl)benzoicacid
4(1(22dimethyltetrahydro2Hpyran4yl)3hydroxy6methyl14dihydropyrazolo(34d)(13)thiazin4yl)benzoicacid
CC1=NC2=C(C(S1)C3=CC=C(C=C3)C(=O)O)C(=O)NN2C4CCOC(C4)(C)C
InChI=1SC20H23N3O4Sc111211715(16(2811)124613(7512)19(25)26)18(24)2223(17)14892720(23)1014h471416H810H213H3(H2224)(H2526)
MFCD30704995
ZINC000096118179
ZINC000096118182
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