Vitas-M small molecule compound
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK306252
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC2
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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 C20H17N7O3S MW 435.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O3S/c1-10-17(27(28)29)11(2)25(23-10)8-12-6-7-14(30-12)18-22-19-16-13-4-3-5-15(13)31-20(16)21-9-26(19)24-18/h6-7,9H,3-5,8H2,1-2H3InChIKey
XAXYDPIYKMAHQY-UHFFFAOYSA-NSynonyms
1005584-96-2(O)(N+)(=O)c1c(C)nn(c1C)Cc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC2
1005584962
2(5((35dimethyl4nitro1Hpyrazol1yl)methyl)furan2yl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
CC1=C(C(=NN1CC2=CC=C(O2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCC6)C)(N+)(=O)(O)
InChI=1SC20H17N7O3Sc11017(27(28)29)11(2)25(2310)8126714(3012)182219161343515(13)3120(16)21926(19)2418h679H358H212H3
MFCD04129712
ZINC000002789689
ZINC02789689
ZINC2789689
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