Vitas-M small molecule compound
4-[3-hydroxy-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-4-yl]benzoic acid
Catalog ID
STL245270
SMILES CC1=Nc2c(C(S1)c1ccc(cc1)C(=O)O)c(nn2C(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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-8(2)19-14-12(15(20)18-19)13(23-9(3)17-14)10-4-6-11(7-5-10)16(21)22/h4-8,13H,1-3H3,(H,18,20)(H,21,22)InChIKey
DDWOQNJYOGHMSW-UHFFFAOYSA-NSynonyms
1324099-27-51324099275
4(3hydroxy6methyl1(propan2yl)14dihydropyrazolo(34d)(13)thiazin4yl)benzoicacid
4(6methyl3oxo1propan2yl24dihydropyrazolo(34d)(13)thiazin4yl)benzoicacid
CC1=NC2=C(C(S1)C3=CC=C(C=C3)C(=O)O)C(=O)NN2C(C)C
InChI=1SC16H17N3O3Sc18(2)191412(15(20)1819)13(239(3)1714)104611(7510)16(21)22h4813H13H3(H1820)(H2122)
MFCD24860206
ZINC000071286116
ZINC000071286118
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