Vitas-M small molecule compound
methyl {5-amino-6-cyano-8-(methylcarbamoyl)-3-oxo-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl}acetate
Catalog ID
STL448108
SMILES CNC(=O)C1=C2SC(C(=O)N2C(=C(C1c1ccc(cc1)C(F)(F)F)C#N)N)CC(=O)OC
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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 C20H17F3N4O4S MW 466.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N4O4S/c1-26-17(29)15-14(9-3-5-10(6-4-9)20(21,22)23)11(8-24)16(25)27-18(30)12(32-19(15)27)7-13(28)31-2/h3-6,12,14H,7,25H2,1-2H3,(H,26,29)InChIKey
ICQGUOLSOICMCQ-UHFFFAOYSA-NSynonyms
CNC(=O)C1=C2N(C(=O)C(S2)CC(=O)OC)C(=C(C1C3=CC=C(C=C3)C(F)(F)F)C#N)N
InChI=1SC20H17F3N4O4Sc12617(29)1514(93510(649)20(2122)23)11(824)16(25)2718(30)12(3219(15)27)713(28)312h361214H725H212H3(H2629)
METHYL(5AMINO6CYANO8((METHYLAMINO)CARBONYL)3OXO7(4(TRIFLUOROMETHYL)PHENYL)23DIHYDRO7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
methyl(5amino6cyano8(methylcarbamoyl)3oxo7(4(trifluoromethyl)phenyl)23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO6CYANO8(METHYLCARBAMOYL)3OXO7(4(TRIFLUOROMETHYL)PHENYL)7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD07756208
ZINC000003764193
ZINC000003764196
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