Vitas-M small molecule compound
2-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL397393
SMILES FC(c1nn(c(c1Br)C)Cc1nc2n(n1)cnc1c2sc2c1c(C)cc(n2)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(18(22,23)24)26-17-10(6)12-14(32-17)16-27-9(28-31(16)5-25-12)4-30-7(2)11(19)13(29-30)15(20)21/h3,5,15H,4H2,1-2H3InChIKey
LLZBCPJYICSKPW-UHFFFAOYSA-NSynonyms
1006335-91-61006335916
2((4bromo3(difluoromethyl)5methyl1Hpyrazol1yl)methyl)7methyl9(trifluoromethyl)pyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)CN5C(=C(C(=N5)C(F)F)Br)C)C(F)(F)F
InChI=1SC18H11BrF5N7Sc1638(18(2223)24)261710(6)1214(3217)16279(2831(16)52512)4307(2)11(19)13(2930)15(20)21h3515H4H212H3
MFCD08554163
ZINC000097945587
ZINC97945587
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