Vitas-M small molecule compound
methyl {5-amino-6-cyano-8-[(3-methylphenyl)carbamoyl]-3-oxo-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl}acetate
Catalog ID
STL448165
SMILES COC(=O)CC1SC2=C(C(=O)Nc3cccc(c3)C)C(C(=C(N2C1=O)N)C#N)c1ccc(cc1)C(F)(F)F
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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 C26H21F3N4O4S MW 542.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21F3N4O4S/c1-13-4-3-5-16(10-13)32-23(35)21-20(14-6-8-15(9-7-14)26(27,28)29)17(12-30)22(31)33-24(36)18(38-25(21)33)11-19(34)37-2/h3-10,18,20H,11,31H2,1-2H3,(H,32,35)InChIKey
RNUHRRMCCWPBRU-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)C2=C3N(C(=O)C(S3)CC(=O)OC)C(=C(C2C4=CC=C(C=C4)C(F)(F)F)C#N)N
InChI=1SC26H21F3N4O4Sc11343516(1013)3223(35)2120(146815(9714)26(2728)29)17(1230)22(31)3324(36)18(3825(21)33)1119(34)372h3101820H1131H212H3(H3235)
methyl(5amino6cyano8((3methylphenyl)carbamoyl)3oxo7(4(trifluoromethyl)phenyl)23dihydro7H(13)thiazolo(32a)pyridin2yl)acetate
METHYL2(5AMINO6CYANO3OXO8(MTOLYLCARBAMOYL)7(4(TRIFLUOROMETHYL)PHENYL)37DIHYDRO2HTHIAZOLO(32A)PYRIDIN2YL)ACETATE
METHYL2(5AMINO6CYANO8((3METHYLPHENYL)CARBAMOYL)3OXO7(4(TRIFLUOROMETHYL)PHENYL)7H(13)THIAZOLO(32A)PYRIDIN2YL)ACETATE
MFCD07773647
ZINC000008769968
ZINC000008769982
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.