Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STK568029
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](C)C)/[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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-21(2)9-10-22-17(15-8-5-11-27-15)16(19(24)20(22)25)18(23)13-6-4-7-14(12-13)26-3/h4-8,11-12,17,23H,9-10H2,1-3H3/b18-16+InChIKey
FAXODOKXPZFNHB-FBMGVBCBSA-NSynonyms
608503-17-9(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
608503179
C(NH+)(C)CCN1C(C(=C(C2=CC(=CC=C2)OC)(O))C(=O)C1=O)C3=CC=CS3
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC20H22N2O4Sc121(2)9102217(1585112715)16(19(24)20(22)25)18(23)1364714(1213)263h4811121723H910H213H3b1816+
MFCD18245195
ZINC000005408698
ZINC000005408702
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