Vitas-M small molecule compound
methyl 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177028
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)COc1ccc(cc1)Br
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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 C21H15BrN4O4S MW 499.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O4S/c1-11-16-19-24-18(25-26(19)10-23-20(16)31-17(11)21(27)28-2)15-8-7-14(30-15)9-29-13-5-3-12(22)4-6-13/h3-8,10H,9H2,1-2H3InChIKey
OCWSVKWWPSOZPV-UHFFFAOYSA-NSynonyms
832134-86-8832134868
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(O4)COC5=CC=C(C=C5)Br)C(=O)OC
InChI=1SC21H15BrN4O4Sc11116192418(2526(19)102320(16)3117(11)21(27)282)158714(3015)929135312(22)4613h3810H9H212H3
methyl2(5((4bromophenoxy)methyl)furan2yl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04133594
ZINC000002799742
ZINC02799742
ZINC2799742
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