Vitas-M small molecule compound

(2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-N-(prop-2-en-1-yl)hydrazinecarbothioamide

Catalog ID
STK996938
SMILES C=CCNC(=S)N/N=C/c1ccc(c(c1)COc1cc(C)c(cc1C(C)C)Cl)OC

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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 C23H28ClN3O2S MW 446.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28ClN3O2S/c1-6-9-25-23(30)27-26-13-17-7-8-21(28-5)18(11-17)14-29-22-10-16(4)20(24)12-19(22)15(2)3/h6-8,10-13,15H,1,9,14H2,2-5H3,(H2,25,27,30)/b26-13+
InChIKey
QZKDVHUVNNHPQY-LGJNPRDNSA-N
Synonyms
528833-39-8
(((1E)2(3((4CHLORO5METHYL2(METHYLETHYL)PHENOXY)METHYL)4METHOXYPHENYL)1AZAVINYL)AMINO)(PROP2ENYLAMINO)METHANE1THIONE
(2E)2(3((4chloro5methyl2(propan2yl)phenoxy)methyl)4methoxybenzylidene)N(prop2en1yl)hydrazinecarbothioamide
(E)Nallyl2(3((4chloro2isopropyl5methylphenoxy)methyl)4methoxybenzylidene)hydrazinecarbothioamide
1((E)(3((4CHLORO5METHYL2PROPAN2YLPHENOXY)METHYL)4METHOXYPHENYL)METHYLIDENEAMINO)3PROP2ENYLTHIOUREA
528833398
C=CCNC(=S)NN=Cc1ccc(c(c1)COc1cc(C)c(cc1C(C)C)Cl)OC
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C=NNC(=S)NCC=C)OC
InChI=1SC23H28ClN3O2Sc1692523(30)272613177821(285)18(1117)1429221016(4)20(24)1219(22)15(2)3h68101315H1914H225H3(H2252730)b2613+
MFCD03558198
ZINC000002449261
ZINC33372769

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Available files

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