Vitas-M small molecule compound

N-(5-{2-[(2E)-2-{3-[2-(2-methylphenoxy)ethoxy]benzylidene}hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)benzamide

Catalog ID
STK698229
SMILES O=C(Cc1nnc(s1)NC(=O)c1ccccc1)N/N=C/c1cccc(c1)OCCOc1ccccc1C

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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 C27H25N5O4S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4S/c1-19-8-5-6-13-23(19)36-15-14-35-22-12-7-9-20(16-22)18-28-30-24(33)17-25-31-32-27(37-25)29-26(34)21-10-3-2-4-11-21/h2-13,16,18H,14-15,17H2,1H3,(H,30,33)(H,29,32,34)/b28-18+
InChIKey
LXTZRDHIARBGBM-MTDXEUNCSA-N
Synonyms

(E)N(5(2oxo2(2(3(2(otolyloxy)ethoxy)benzylidene)hydrazinyl)ethyl)134thiadiazol2yl)benzamide
CC1=CC=CC=C1OCCOC2=CC=CC(=C2)C=NNC(=O)CC3=NN=C(S3)NC(=O)C4=CC=CC=C4
InChI=1SC27H25N5O4Sc1198561323(19)3615143522127920(1622)18283024(33)1725313227(3725)2926(34)21103241121h2131618H141517H21H3(H3033)(H293234)b2818+
MFCD02991365
N(5(2((2E)2((3(2(2methylphenoxy)ethoxy)phenyl)methylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)benzamide
N(5(2((2E)2(3(2(2methylphenoxy)ethoxy)benzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)benzamide
N(5(2(2(3(2(2METHYLPHENOXY)ETHOXY)BENZYLIDENE)HYDRAZINO)2OXOETHYL)134THIADIAZOL2YL)BENZAMIDE
O=C(Cc1nnc(s1)NC(=O)c1ccccc1)NN=Cc1cccc(c1)OCCOc1ccccc1C
ZINC000009164636
ZINC33367537

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Available files

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