Vitas-M small molecule compound
methyl 2-{4-[(4-fluorophenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL178533
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)COc1ccc(cc1)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 C23H17FN4O3S MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN4O3S/c1-13-18-21-26-20(27-28(21)12-25-22(18)32-19(13)23(29)30-2)15-5-3-14(4-6-15)11-31-17-9-7-16(24)8-10-17/h3-10,12H,11H2,1-2H3InChIKey
AGFRXWBFRUFDDU-UHFFFAOYSA-NSynonyms
832127-09-0832127090
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)COC5=CC=C(C=C5)F)C(=O)OC
InChI=1SC23H17FN4O3Sc11318212620(2728(21)122522(18)3219(13)23(29)302)155314(4615)1131179716(24)81017h31012H11H212H3
methyl2(4((4fluorophenoxy)methyl)phenyl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04135380
ZINC000002804791
ZINC02804791
ZINC2804791
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