Vitas-M small molecule compound
(7Z)-2-[imino(sulfanyl)methyl]-5-methyl-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-5-ium
Catalog ID
STK993719
SMILES C[NH+]1C/C(=C/c2ccc(cc2)[N+](=O)[O-])/C2=NN(C(C2C1)c1ccc(cc1)[N+](=O)[O-])C(=N)S
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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 C21H21N6O4S MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O4S/c1-24-11-15(10-13-2-6-16(7-3-13)26(28)29)19-18(12-24)20(25(23-19)21(22)32)14-4-8-17(9-5-14)27(30)31/h2-10,18,20H,11-12H2,1H3,(H2,22,32)/p+1/b15-10-InChIKey
MTLKWVAEKUUQMK-GDNBJRDFSA-OSynonyms
(7Z)2(imino(sulfanyl)methyl)5methyl7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hpyrazolo(43c)pyridin5ium
(7Z)5methyl3(4nitrophenyl)7((4nitrophenyl)methylidene)3a456tetrahydro3Hpyrazolo(43c)pyridin5ium2carbothioamide
C(NH+)1CC(=Cc2ccc(cc2)(N+)(=O)(O))C2=NN(C(C2C1)c1ccc(cc1)(N+)(=O)(O))C(=N)S
C(NH+)1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=S)N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H20N6O4Sc1241115(10132616(7313)26(28)29)1918(1224)20(25(2319)21(22)32)144817(9514)27(30)31h2101820H1112H21H3(H22232)p+1b1510
ZINC000051330392
ZINC000245255941
Check stock
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Check stock on Vitas-MAvailable files
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