Vitas-M small molecule compound
2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL391512
SMILES FC(c1cc(C)c2c(n1)sc1c2ncn2c1nc(n2)Cn1nc(c(c1C)Br)C(F)(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 C18H11BrF5N7S MW 532.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11BrF5N7S/c1-6-3-8(15(20)21)26-17-10(6)12-13(32-17)16-27-9(28-31(16)5-25-12)4-30-7(2)11(19)14(29-30)18(22,23)24/h3,5,15H,4H2,1-2H3InChIKey
CEJDGNWALJROOQ-UHFFFAOYSA-NSynonyms
1006357-76-11006357761
2((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)9(difluoromethyl)7methylpyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)CN5C(=C(C(=N5)C(F)(F)F)Br)C)C(F)F
InChI=1SC18H11BrF5N7Sc1638(15(20)21)261710(6)1213(3217)16279(2831(16)52512)4307(2)11(19)14(2930)18(2223)24h3515H4H212H3
MFCD08554027
ZINC000097945586
ZINC97945586
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