Vitas-M small molecule compound
2-({1-[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
Catalog ID
STL020533
SMILES COC(=O)c1c(sc2c1CCC(C2)C)N1C(=O)CC(C1=O)Sc1ncccc1C(=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 C21H20N2O6S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S2/c1-10-5-6-11-13(8-10)31-19(16(11)21(28)29-2)23-15(24)9-14(18(23)25)30-17-12(20(26)27)4-3-7-22-17/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,26,27)InChIKey
UDMTYELSPXZWIB-UHFFFAOYSA-NSynonyms
830352-05-12((1(3(methoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)25dioxopyrrolidin3yl)sulfanyl)pyridine3carboxylicacid
2(1(3methoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)25dioxopyrrolidin3yl)sulfanylpyridine3carboxylicacid
830352051
CC1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)O
InChI=1SC21H20N2O6S2c110561113(810)3119(16(11)21(28)292)2315(24)914(18(23)25)301712(20(26)27)4372217h3471014H5689H212H3(H2627)
MFCD06625475
ZINC000002889907
ZINC000019880965
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