Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-[(1E)-1-(3-nitrophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK545256
SMILES O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C(/c1cccc(c1)[N+](=O)[O-])\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 C22H20N10O4 MW 488.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N10O4/c1-13(15-6-4-7-16(11-15)32(34)35)24-26-22(33)19-18(31(29-25-19)21-20(23)27-36-28-21)12-30-10-9-14-5-2-3-8-17(14)30/h2-8,11H,9-10,12H2,1H3,(H2,23,27)(H,26,33)/b24-13+
InChIKey
NSWHVHKBHJBGMM-ZMOGYAJESA-N
Synonyms
488087-26-9
(E)1(4amino125oxadiazol3yl)5(indolin1ylmethyl)N(1(3nitrophenyl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(23dihydro1Hindol1ylmethyl)N((1E)1(3nitrophenyl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(23dihydroindol1ylmethyl)N((E)1(3nitrophenyl)ethylideneamino)triazole4carboxamide
488087269
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCC4=CC=CC=C43)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC22H20N10O4c113(1564716(1115)32(34)35)242622(33)1918(31(292519)2120(23)27362821)123010914523817(14)30h2811H91012H21H3(H22327)(H2633)b2413+
MFCD03287705
O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)NN=C(c1cccc(c1)(N+)(=O)(O))C
ZINC000008970260
ZINC34798776

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.