Vitas-M small molecule compound
3-[({[4-(benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK107465
SMILES S=C(NC(=O)c1ccc(cc1)OCc1ccccc1)Nc1cccc(c1)C(=O)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 C22H18N2O4S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S/c25-20(24-22(29)23-18-8-4-7-17(13-18)21(26)27)16-9-11-19(12-10-16)28-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,27)(H2,23,24,25,29)InChIKey
JZWJGKUCOZSMIB-UHFFFAOYSA-NSynonyms
3((((4(BENZYLOXY)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((4PHENYLMETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O
InChI=1SC22H18N2O4Sc2520(2422(29)231884717(1318)21(26)27)1691119(121016)2814155213615h113H14H2(H2627)(H223242529)
MFCD03926138
ZINC000001118270
ZINC1118270
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