Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK568070
SMILES C[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)C
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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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-14(2)28-16-9-7-15(8-10-16)20(25)18-19(17-6-5-13-29-17)24(12-11-23(3)4)22(27)21(18)26/h5-10,13-14,19,25H,11-12H2,1-4H3/b20-18+InChIKey
FXWHBDDKBBMUHR-CZIZESTLSA-NSynonyms
371235-57-3(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371235573
C(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)C
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=CS3)(O)
InChI=1SC22H26N2O4Sc114(2)28169715(81016)20(25)1819(1765132917)24(121123(3)4)22(27)21(18)26h51013141925H1112H214H3b2018+
MFCD09798676
ZINC000102550551
ZINC000102550557
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