Vitas-M small molecule compound

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

Catalog ID
STK532262
SMILES O=C(Cc1nnc(s1)NC(=O)c1ccccc1C)N/N=C/c1ccc(cc1)OCCSc1ccc(cc1)Cl

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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 C27H24ClN5O3S2 MW 566.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O3S2/c1-18-4-2-3-5-23(18)26(35)30-27-33-32-25(38-27)16-24(34)31-29-17-19-6-10-21(11-7-19)36-14-15-37-22-12-8-20(28)9-13-22/h2-13,17H,14-16H2,1H3,(H,31,34)(H,30,33,35)/b29-17+
InChIKey
LAZQRTHOUIHICH-STBIYBPSSA-N
Synonyms

(E)N(5(2(2(4(2((4chlorophenyl)thio)ethoxy)benzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
CC1=CC=CC=C1C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC=C(C=C3)OCCSC4=CC=C(C=C4)Cl
InChI=1SC27H24ClN5O3S2c118423523(18)26(35)3027333225(3827)1624(34)3129171961021(11719)361415372212820(28)91322h21317H1416H21H3(H3134)(H303335)b2917+
MFCD02198358
N(5(2((2E)2((4(2(4CHLOROPHENYL)SULFANYLETHOXY)PHENYL)METHYLIDENE)HYDRAZINYL)2OXOETHYL)134THIADIAZOL2YL)2METHYLBENZAMIDE
N(5(2((2E)2(4(2((4chlorophenyl)sulfanyl)ethoxy)benzylidene)hydrazinyl)2oxoethyl)134thiadiazol2yl)2methylbenzamide
O=C(Cc1nnc(s1)NC(=O)c1ccccc1C)NN=Cc1ccc(cc1)OCCSc1ccc(cc1)Cl
ZINC000097965000
ZINC100103793

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Available files

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