Vitas-M small molecule compound

2-(2-benzyl-4-hydroxy-5-propoxypentanoyl)-N-phenylhydrazinecarbothioamide (non-preferred name)

Catalog ID
STK096889
SMILES CCCOCC(CC(C(=O)NNC(=S)Nc1ccccc1)Cc1ccccc1)O

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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 C22H29N3O3S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3S/c1-2-13-28-16-20(26)15-18(14-17-9-5-3-6-10-17)21(27)24-25-22(29)23-19-11-7-4-8-12-19/h3-12,18,20,26H,2,13-16H2,1H3,(H,24,27)(H2,23,25,29)
InChIKey
HPPXOFJGKHBUTD-UHFFFAOYSA-N
Synonyms
339347-74-9
1((2benzyl4hydroxy5propoxypentanoyl)amino)3phenylthiourea
2(2benzyl4hydroxy5propoxypentanoyl)Nphenylhydrazinecarbothioamide
2(2BENZYL4HYDROXY5PROPOXYPENTANOYL)NPHENYLHYDRAZINECARBOTHIOAMIDE(NONPREFERREDNAME)
339347749
CCCOCC(CC(C(=O)NNC(=S)Nc1ccccc1)Cc1ccccc1)O
CCCOCC(CC(CC1=CC=CC=C1)C(=O)NNC(=S)NC2=CC=CC=C2)O
InChI=1SC22H29N3O3Sc1213281620(26)1518(141795361017)21(27)242522(29)2319117481219h312182026H21316H21H3(H2427)(H2232529)
MFCD01557108
STK096889
ZINC000005585099
ZINC000005585108

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Available files

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