Vitas-M small molecule compound
dimethyl 5-({[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK675358
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2Br)nc(cc3C(F)(F)F)c2ccc(o2)Br)sc(c1C)C(=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 C21H13Br2F3N4O6S MW 666.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Br2F3N4O6S/c1-7-12(19(32)34-2)18(37-15(7)20(33)35-3)28-17(31)14-13(23)16-27-8(9-4-5-11(22)36-9)6-10(21(24,25)26)30(16)29-14/h4-6H,1-3H3,(H,28,31)InChIKey
ICJRBPKRDLDVSP-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=C(O4)Br)C(F)(F)F)C(=O)OC
dimethyl5(((3bromo5(5bromofuran2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5((3BROMO5(5BROMOFURAN2YL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC21H13Br2F3N4O6Sc1712(19(32)342)18(3715(7)20(33)353)2817(31)1413(23)16278(94511(22)369)610(21(2425)26)30(16)2914h46H13H3(H2831)
MFCD01572170
ZINC000098002714
ZINC98002714
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