Vitas-M small molecule compound
methyl 2-({[6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL400954
SMILES COC(=O)c1c(NC(=O)Cn2nc(c3c2nc(cc3C(F)(F)F)C2CC2)C)sc(c1C)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 C21H21F3N4O3S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N4O3S/c1-9-11(3)32-19(16(9)20(30)31-4)26-15(29)8-28-18-17(10(2)27-28)13(21(22,23)24)7-14(25-18)12-5-6-12/h7,12H,5-6,8H2,1-4H3,(H,26,29)InChIKey
HMIPCHVTWZSFDK-UHFFFAOYSA-NSynonyms
1011378-11-21011378112
CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C3=C(C(=N2)C)C(=CC(=N3)C4CC4)C(F)(F)F)C
InChI=1SC21H21F3N4O3Sc1911(3)3219(16(9)20(30)314)2615(29)8281817(10(2)2728)13(21(2223)24)714(2518)125612h712H568H214H3(H2629)
methyl2(((6cyclopropyl3methyl4(trifluoromethyl)1Hpyrazolo(34b)pyridin1yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2((2(6cyclopropyl3methyl4(trifluoromethyl)pyrazolo(34b)pyridin1yl)acetyl)amino)45dimethylthiophene3carboxylate
MFCD09470169
ZINC000020614276
ZINC20614276
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