Vitas-M small molecule compound

2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK305555
SMILES [O-][N+](=O)c1c(C)nn(c1C)CCc1nn2c(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 C17H17N7O2S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O2S/c1-9-15(24(25)26)10(2)22(20-9)7-6-13-19-16-14-11-4-3-5-12(11)27-17(14)18-8-23(16)21-13/h8H,3-7H2,1-2H3
InChIKey
YZTQKTDGCZNRJH-UHFFFAOYSA-N
Synonyms
1005583-74-3
(O)(N+)(=O)c1c(C)nn(c1C)CCc1nn2c(n1)c1c(nc2)sc2c1CCC2
1005583743
2(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
CC1=C(C(=NN1CCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCC5)C)(N+)(=O)(O)
InChI=1SC17H17N7O2Sc1915(24(25)26)10(2)22(209)76131916141143512(11)2717(14)18823(16)2113h8H37H212H3
MFCD04050760
ZINC000002786696
ZINC02786696
ZINC2786696

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Available files

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