Vitas-M small molecule compound
methyl 3-hydroxy-5-[1-(2-hydroxyethyl)-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL494707
SMILES OCCn1c2ccc(cc2nc1C(F)(F)F)n1cc(C(=O)OC)c2c(c1)c(O)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 C18H14F3N5O4 MW 421.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N5O4/c1-30-16(29)11-8-25(7-10-14(11)23-24-15(10)28)9-2-3-13-12(6-9)22-17(18(19,20)21)26(13)4-5-27/h2-3,6-8,27H,4-5H2,1H3,(H,24,28)InChIKey
ZXWQPYVWTGTVPW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CN(C=C2C1=NNC2=O)C3=CC4=C(C=C3)N(C(=N4)C(F)(F)F)CCO
InChI=1SC18H14F3N5O4c13016(29)11825(71014(11)232415(10)28)9231312(69)2217(18(1920)21)26(13)4527h236827H45H21H3(H2428)
methyl3hydroxy5(1(2hydroxyethyl)2(trifluoromethyl)1Hbenzimidazol5yl)5Hpyrazolo(43c)pyridine7carboxylate
methyl5(1(2hydroxyethyl)2(trifluoromethyl)benzimidazol5yl)3oxo2Hpyrazolo(43c)pyridine7carboxylate
MFCD30716578
ZINC000253415186
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