Vitas-M small molecule compound

(2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide

Catalog ID
STK996937
SMILES COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)/C=N/NC(=S)Nc1ccccc1

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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 C26H28ClN3O2S MW 482.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN3O2S/c1-17(2)22-14-23(27)18(3)12-25(22)32-16-20-13-19(10-11-24(20)31-4)15-28-30-26(33)29-21-8-6-5-7-9-21/h5-15,17H,16H2,1-4H3,(H2,29,30,33)/b28-15+
InChIKey
USCADWDVXNFMHC-RWPZCVJISA-N
Synonyms
529499-13-6
(((1E)2(3((4CHLORO5METHYL2(METHYLETHYL)PHENOXY)METHYL)4METHOXYPHENYL)1AZAVINYL)AMINO)(PHENYLAMINO)METHANE1THIONE
(2E)2(3((4chloro5methyl2(propan2yl)phenoxy)methyl)4methoxybenzylidene)Nphenylhydrazinecarbothioamide
(E)2(3((4chloro2isopropyl5methylphenoxy)methyl)4methoxybenzylidene)Nphenylhydrazinecarbothioamide
1((E)(3((4CHLORO5METHYL2PROPAN2YLPHENOXY)METHYL)4METHOXYPHENYL)METHYLIDENEAMINO)3PHENYLTHIOUREA
529499136
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C=NNC(=S)NC3=CC=CC=C3)OC
COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)C=NNC(=S)Nc1ccccc1
InChI=1SC26H28ClN3O2Sc117(2)221423(27)18(3)1225(22)3216201319(101124(20)314)15283026(33)29218657921h51517H16H214H3(H2293033)b2815+
MFCD03561568
ZINC000002220144
ZINC33350788

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Available files

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