Vitas-M small molecule compound
4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-ethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Catalog ID
STK676556
SMILES CC/N=C(\SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O)/Nc1ccc(cc1)OC(Cl)(F)F
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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 C21H18ClF2N3O5S MW 497.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClF2N3O5S/c1-2-25-20(26-13-5-9-15(10-6-13)32-21(22,23)24)33-16-11-17(28)27(18(16)29)14-7-3-12(4-8-14)19(30)31/h3-10,16H,2,11H2,1H3,(H,25,26)(H,30,31)InChIKey
WTGBFFKAOXOXMO-UHFFFAOYSA-NSynonyms
4(3((4(CHLORO(DIFLUORO)METHOXY)ANILINO)ETHYLAZANIUMYLIDENEMETHYL)SULFANYL25DIOXOPYRROLIDIN1YL)BENZOATE
4(3((N(4(chloro(difluoro)methoxy)phenyl)Nethylcarbamimidoyl)sulfanyl)25dioxopyrrolidin1yl)benzoicacid
4(3(N(4(CHLORO(DIFLUORO)METHOXY)PHENYL)NETHYLCARBAMIMIDOYL)SULFANYL25DIOXOPYRROLIDIN1YL)BENZOICACID
CCN=C(NC1=CC=C(C=C1)OC(F)(F)Cl)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
CCN=C(SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O)Nc1ccc(cc1)OC(Cl)(F)F
InChI=1SC21H18ClF2N3O5Sc122520(26135915(10613)3221(2223)24)33161117(28)27(18(16)29)147312(4814)19(30)31h31016H211H21H3(H2526)(H3031)
MFCD02110691
ZINC000003671547
ZINC000100092296
Check stock
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Check stock on Vitas-MAvailable files
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