Vitas-M small molecule compound

2-[2-(2-chloro-5-methylphenoxy)propanoyl]-N-methylhydrazinecarbothioamide

Catalog ID
STK443223
SMILES CNC(=S)NNC(=O)C(Oc1cc(C)ccc1Cl)C

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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/c1-7-4-5-9(13)10(6-7)18-8(2)11(17)15-16-12(19)14-3/h4-6,8H,1-3H3,(H,15,17)(H2,14,16,19)
InChIKey
KKXSXHKUJDMUAK-UHFFFAOYSA-N
Synonyms

1(2(2chloro5methylphenoxy)propanoylamino)3methylthiourea
2(2(2chloro5methylphenoxy)propanoyl)Nmethylhydrazinecarbothioamide
2(2CHLORO5METHYLPHENOXY)N(((METHYLAMINO)THIOXOMETHYL)AMINO)PROPANAMIDE
CC1=CC(=C(C=C1)Cl)OC(C)C(=O)NNC(=S)NC
InChI=1SC12H16ClN3O2Sc17459(13)10(67)188(2)11(17)151612(19)143h468H13H3(H1517)(H2141619)
MFCD04054726
ZINC000006787999
ZINC000006788002

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Available files

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