Vitas-M small molecule compound
methyl 4-(3-{[2-(1H-benzimidazol-2-yl)ethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Catalog ID
STK138555
SMILES COC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)SCCc1nc2c([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/c1-28-21(27)13-6-8-14(9-7-13)24-19(25)12-17(20(24)26)29-11-10-18-22-15-4-2-3-5-16(15)23-18/h2-9,17H,10-12H2,1H3,(H,22,23)InChIKey
LWSBRQIJUJTXAJ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3
COC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)SCCc1nc2c((nH)1)cccc2
InChI=1SC21H19N3O4Sc12821(27)136814(9713)2419(25)1217(20(24)26)291110182215423516(15)2318h2917H1012H21H3(H2223)
METHYL4(3((2(1HBENZIMIDAZOL2YL)ETHYL)SULFANYL)25DIOXOPYRROLIDIN1YL)BENZOATE
METHYL4(3(2(1HBENZIMIDAZOL2YL)ETHYLSULFANYL)25DIOXOPYRROLIDIN1YL)BENZOATE
MFCD04138819
ZINC000002728259
ZINC000002728260
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