Vitas-M small molecule compound
2-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ium-2-yl)phenolate
Catalog ID
STL150179
SMILES [O-]c1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC[NH+](C2)Cc1ccccc1
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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 C23H19N5OS MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5OS/c29-18-9-5-4-8-16(18)21-25-22-20-17-10-11-27(12-15-6-2-1-3-7-15)13-19(17)30-23(20)24-14-28(22)26-21/h1-9,14,29H,10-13H2InChIKey
DUNNHGLWUAQXIF-UHFFFAOYSA-NSynonyms
500194-67-2(O)c1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC(NH+)(C2)Cc1ccccc1
2(9benzyl891011tetrahydropyrido(4345)thieno(32e)(124)triazolo(15c)pyrimidin9ium2yl)phenolate
500194672
C1C(NH+)(CC2=C1C3=C(S2)N=CN4C3=NC(=N4)C5=CC=CC=C5(O))CC6=CC=CC=C6
InChI=1SC23H19N5OSc2918954816(18)2125222017101127(12156213715)1319(17)3023(20)241428(22)2621h191429H1013H2
MFCD03304797
ZINC000020131082
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