Vitas-M small molecule compound
3-phenylpropyl 5-{[(3-chloro-4-methylphenyl)carbamothioyl]amino}-5-oxopentanoate
Catalog ID
STL065280
SMILES O=C(OCCCc1ccccc1)CCCC(=O)NC(=S)Nc1ccc(c(c1)Cl)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 C22H25ClN2O3S MW 432.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN2O3S/c1-16-12-13-18(15-19(16)23)24-22(29)25-20(26)10-5-11-21(27)28-14-6-9-17-7-3-2-4-8-17/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H2,24,25,26,29)InChIKey
XAMILHMBSWJKTK-UHFFFAOYSA-NSynonyms
3phenylpropyl5(((3chloro4methylphenyl)carbamothioyl)amino)5oxopentanoate
3PHENYLPROPYL5((3CHLORO4METHYLPHENYL)CARBAMOTHIOYLAMINO)5OXOPENTANOATE
CC1=C(C=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Cl
InChI=1SC22H25ClN2O3Sc116121318(1519(16)23)2422(29)2520(26)1051121(27)281469177324817h2478121315H5691114H21H3(H224252629)
MFCD07083679
ZINC000012137370
ZINC12137370
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