Vitas-M small molecule compound
ethyl 4-{3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Catalog ID
STK776332
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)SCc1nc2c([nH]1)cccc2
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-2-28-21(27)13-7-9-14(10-8-13)24-19(25)11-17(20(24)26)29-12-18-22-15-5-3-4-6-16(15)23-18/h3-10,17H,2,11-12H2,1H3,(H,22,23)InChIKey
ZWYMZYZDIWHUOJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3
CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)SCc1nc2c((nH)1)cccc2
ETHYL4((3S)3((1HBENZIMIDAZOL2YLMETHYL)SULFANYL)25DIOXOPYRROLIDIN1YL)BENZOATE
ethyl4(3((1Hbenzimidazol2ylmethyl)sulfanyl)25dioxopyrrolidin1yl)benzoate
ETHYL4(3(1HBENZIMIDAZOL2YLMETHYLSULFANYL)25DIOXOPYRROLIDIN1YL)BENZOATE
InChI=1SC21H19N3O4Sc122821(27)137914(10813)2419(25)1117(20(24)26)2912182215534616(15)2318h31017H21112H21H3(H2223)
MFCD05258863
ZINC000001423319
ZINC000100161815
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