Vitas-M small molecule compound
ethyl 1-{7-[(4-fluorophenyl)amino]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-3-carboxylate
Catalog ID
STL373623
SMILES CCOC(=O)C1CCCN(C1)c1nc(Nc2ccc(cc2)F)c2c(n1)[nH]nn2
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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 C18H20FN7O2 MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20FN7O2/c1-2-28-17(27)11-4-3-9-26(10-11)18-21-15(14-16(22-18)24-25-23-14)20-13-7-5-12(19)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H2,20,21,22,23,24,25)InChIKey
XJJUBFOIFBWZBV-UHFFFAOYSA-NSynonyms
1286719-00-31286719003
CCOC(=O)C1CCCN(C1)c1nc(Nc2ccc(cc2)F)c2c(n1)(nH)nn2
CCOC(=O)C1CCCN(C1)C2=NC3=NNN=C3C(=N2)NC4=CC=C(C=C4)F
ethyl1(7((4fluorophenyl)amino)3H(123)triazolo(45d)pyrimidin5yl)piperidine3carboxylate
ethyl1(7(4fluoroanilino)2Htriazolo(45d)pyrimidin5yl)piperidine3carboxylate
InChI=1SC18H20FN7O2c122817(27)1143926(1011)182115(1416(2218)24252314)20137512(19)6813h5811H24910H21H3(H2202122232425)
MFCD22613025
ZINC000062022664
ZINC000062022665
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