Vitas-M small molecule compound
5-(2-methylbutan-2-yl)-N'-[(E)-(3-nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
Catalog ID
STK101458
SMILES CCC(C1CCc2c(C1)c(n[nH]2)C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])(C)C
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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 C20H25N5O3 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3/c1-4-20(2,3)14-8-9-17-16(11-14)18(23-22-17)19(26)24-21-12-13-6-5-7-15(10-13)25(27)28/h5-7,10,12,14H,4,8-9,11H2,1-3H3,(H,22,23)(H,24,26)/b21-12+InChIKey
WULGKJDOSGTNHD-CIAFOILYSA-NSynonyms
(E)N(3nitrobenzylidene)5(tertpentyl)4567tetrahydro1Hindazole3carbohydrazide
5(2methylbutan2yl)N((E)(3nitrophenyl)methylidene)4567tetrahydro1Hindazole3carbohydrazide
5(2methylbutan2yl)N((E)(3nitrophenyl)methylideneamino)4567tetrahydro1Hindazole3carboxamide
CCC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)NN=CC3=CC(=CC=C3)(N+)(=O)(O)
CCC(C1CCc2c(C1)c(n(nH)2)C(=O)NN=Cc1cccc(c1)(N+)(=O)(O))(C)C
InChI=1SC20H25N5O3c1420(23)14891716(1114)18(232217)19(26)2421121365715(1013)25(27)28h57101214H48911H213H3(H2223)(H2426)b2112+
MFCD03665752
ZINC000004677653
ZINC000004677655
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