Vitas-M small molecule compound

diethyl 5-({[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STL404057
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2Br)nc(cc3C(F)(F)F)c2ccc(cc2)Br)sc(c1C)C(=O)OCC

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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 C25H19Br2F3N4O5S MW 704.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Br2F3N4O5S/c1-4-38-23(36)16-11(3)19(24(37)39-5-2)40-22(16)32-21(35)18-17(27)20-31-14(12-6-8-13(26)9-7-12)10-15(25(28,29)30)34(20)33-18/h6-10H,4-5H2,1-3H3,(H,32,35)
InChIKey
GWOKPYFXPABFTC-UHFFFAOYSA-N
Synonyms
352679-79-9
352679799
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=C(C=C4)Br)C(F)(F)F
DIETHYL5(((3BROMO5(4BROMOPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)CARBONYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
diethyl5(((3bromo5(4bromophenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((3BROMO5(4BROMOPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC25H19Br2F3N4O5Sc143823(36)1611(3)19(24(37)3952)4022(16)3221(35)1817(27)203114(126813(26)9712)1015(25(2829)30)34(20)3318h610H45H213H3(H3235)
MFCD01450639
ZINC000008397114
ZINC08397114
ZINC8397114

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.