Vitas-M small molecule compound

2-[(4-chloro-3,5-dimethylphenoxy)acetyl]-N-methylhydrazinecarbothioamide

Catalog ID
STK435211
SMILES CNC(=S)NNC(=O)COc1cc(C)c(c(c1)C)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 C12H16ClN3O2S MW 301.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16ClN3O2S/c1-7-4-9(5-8(2)11(7)13)18-6-10(17)15-16-12(19)14-3/h4-5H,6H2,1-3H3,(H,15,17)(H2,14,16,19)
InChIKey
STAVDOFMUDLPES-UHFFFAOYSA-N
Synonyms

1((2(4CHLORO35DIMETHYLPHENOXY)ACETYL)AMINO)3METHYLTHIOUREA
2((4chloro35dimethylphenoxy)acetyl)Nmethylhydrazinecarbothioamide
2(4CHLORO35DIMETHYLPHENOXY)N(((METHYLAMINO)THIOXOMETHYL)AMINO)ACETAMIDE
CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC
InChI=1SC12H16ClN3O2Sc1749(58(2)11(7)13)18610(17)151612(19)143h45H6H213H3(H1517)(H2141619)
MFCD03943409
ZINC000006825834
ZINC06825834
ZINC6825834

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Available files

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