Vitas-M small molecule compound
3-[({[3-(benzyloxy)phenyl]carbonyl}carbamothioyl)amino]-4-chlorobenzoic acid
Catalog ID
STK103995
SMILES S=C(Nc1cc(ccc1Cl)C(=O)O)NC(=O)c1cccc(c1)OCc1ccccc1
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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 C22H17ClN2O4S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4S/c23-18-10-9-16(21(27)28)12-19(18)24-22(30)25-20(26)15-7-4-8-17(11-15)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,27,28)(H2,24,25,26,30)InChIKey
YABSSYJQBJDBGR-UHFFFAOYSA-NSynonyms
3((((3(BENZYLOXY)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4CHLOROBENZOICACID
4CHLORO3((3PHENYLMETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl
InChI=1SC22H17ClN2O4Sc231810916(21(27)28)1219(18)2422(30)2520(26)1574817(1115)2913145213614h112H13H2(H2728)(H224252630)
MFCD03906737
ZINC000012464150
ZINC12464150
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