Vitas-M small molecule compound
methyl 5-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)-2-(morpholin-4-yl)benzoate
Catalog ID
STL372687
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=S)NC(=O)c1ccc(cc1)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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-14-3-5-15(6-4-14)19(25)23-21(29)22-16-7-8-18(17(13-16)20(26)27-2)24-9-11-28-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,22,23,25,29)InChIKey
BTSFENIKRDLBEU-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC
InChI=1SC21H23N3O4Sc1143515(6414)19(25)2321(29)22167818(17(1316)20(26)272)2491128121024h3813H912H212H3(H222232529)
METHYL5((((4METHYLBENZOYL)AMINO)CARBOTHIOYL)AMINO)2(4MORPHOLINYL)BENZOATE
methyl5((((4methylphenyl)carbonyl)carbamothioyl)amino)2(morpholin4yl)benzoate
methyl5((4methylbenzoyl)carbamothioylamino)2morpholin4ylbenzoate
MFCD15168746
ZINC000020972415
ZINC20972415
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