Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N'-{(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK547595
SMILES O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1cccc(c1)OCc1cccc2c1cccc2

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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 C28H27N9O4 MW 553.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N9O4/c29-26-27(34-41-33-26)37-24(17-36-11-13-39-14-12-36)25(31-35-37)28(38)32-30-16-19-5-3-9-22(15-19)40-18-21-8-4-7-20-6-1-2-10-23(20)21/h1-10,15-16H,11-14,17-18H2,(H2,29,33)(H,32,38)/b30-16+
InChIKey
ISHBWSBOSKGGJW-OKCVXOCRSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)5(morpholinomethyl)N(3(naphthalen1ylmethoxy)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(morpholin4ylmethyl)N((E)(3(naphthalen1ylmethoxy)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(MORPHOLIN4YLMETHYL)N((E)(3(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)OCC5=CC=CC6=CC=CC=C65
InChI=1SC28H27N9O4c292627(34413326)3724(1736111339141236)25(313537)28(38)3230161953922(1519)401821847206121023(20)21h1101516H11141718H2(H22933)(H3238)b3016+
MFCD03289769
O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)NN=Cc1cccc(c1)OCc1cccc2c1cccc2
ZINC000097966642
ZINC102448350

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Available files

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