Vitas-M small molecule compound
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(2-fluoro-4-methoxyphenyl)ethanone
Catalog ID
STK682653
SMILES CCNc1nc(NCC)nc2n1c(SCC(=O)c1ccc(cc1F)OC)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 C17H20FN7O2S MW 405.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20FN7O2S/c1-4-19-14-21-15(20-5-2)25-16(22-14)23-24-17(25)28-9-13(26)11-7-6-10(27-3)8-12(11)18/h6-8H,4-5,9H2,1-3H3,(H2,19,20,21,22,23)InChIKey
BHKNBARFWMORBQ-UHFFFAOYSA-NSynonyms
2((57bis(ethylamino)(124)triazolo(43a)(135)triazin3yl)sulfanyl)1(2fluoro4methoxyphenyl)ethanone
CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=C(C=C(C=C3)OC)F
InChI=1SC17H20FN7O2Sc1419142115(2052)2516(2214)232417(25)28913(26)117610(273)812(11)18h68H459H213H3(H21920212223)
MFCD02660164
ZINC000001095673
ZINC01095673
ZINC1095673
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