Vitas-M small molecule compound
methyl 2-{3-[(3-bromophenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177026
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)COc1cccc(c1)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 C23H17BrN4O3S MW 509.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O3S/c1-13-18-21-26-20(27-28(21)12-25-22(18)32-19(13)23(29)30-2)15-6-3-5-14(9-15)11-31-17-8-4-7-16(24)10-17/h3-10,12H,11H2,1-2H3InChIKey
BCVHXTSGSAPHAD-UHFFFAOYSA-NSynonyms
832134-82-4832134824
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=CC=C4)COC5=CC(=CC=C5)Br)C(=O)OC
InChI=1SC23H17BrN4O3Sc11318212620(2728(21)122522(18)3219(13)23(29)302)1563514(915)11311784716(24)1017h31012H11H212H3
methyl2(3((3bromophenoxy)methyl)phenyl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04133586
ZINC000002799732
ZINC02799732
ZINC2799732
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