Vitas-M small molecule compound

2-chloro-4-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid

Catalog ID
STK023552
SMILES S=C(NC(=O)c1cccc(c1)OC(C)C)Nc1ccc(c(c1)Cl)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 C18H17ClN2O4S MW 392.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-12-6-7-14(17(23)24)15(19)9-12/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)
InChIKey
FMTSPSFBZUMWFK-UHFFFAOYSA-N
Synonyms
532945-36-1
2CHLORO4((((3(1METHYLETHOXY)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO4((((3(PROPAN2YLOXY)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO4((3PROPAN2YLOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
2chloro4(3(3isopropoxybenzoyl)thioureido)benzoicacid
532945361
CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl
InChI=1SC18H17ClN2O4Sc110(2)251353411(813)16(22)2118(26)20126714(17(23)24)15(19)912h310H12H3(H2324)(H220212226)
MFCD03453829
S=C(NC(=O)c1cccc(c1)OC(C)C)Nc1ccc(c(c1)Cl)C(=O)O
STK023552
ZINC000005046939
ZINC5046939

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.