Vitas-M small molecule compound
7-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK945519
SMILES CCOc1cc(ccc1OCC)CCn1c(C)c(c2c1ncn1c2nc(n1)c1ccc(cc1)F)C
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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 C27H28FN5O2 MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN5O2/c1-5-34-22-12-7-19(15-23(22)35-6-2)13-14-32-18(4)17(3)24-26(32)29-16-33-27(24)30-25(31-33)20-8-10-21(28)11-9-20/h7-12,15-16H,5-6,13-14H2,1-4H3InChIKey
XNOJFKKKTYUQIS-UHFFFAOYSA-NSynonyms
7(2(34diethoxyphenyl)ethyl)2(4fluorophenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
CCOC1=C(C=C(C=C1)CCN2C(=C(C3=C2N=CN4C3=NC(=N4)C5=CC=C(C=C5)F)C)C)OCC
InChI=1SC27H28FN5O2c15342212719(1523(22)3562)13143218(4)17(3)2426(32)29163327(24)3025(3133)2081021(28)11920h7121516H561314H214H3
MFCD18180644
ZINC000021801817
ZINC21801817
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