Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL044804
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccs1
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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 C30H32N2O5S MW 532.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5S/c1-21-19-23(37-20-22-7-3-2-4-8-22)10-11-24(21)28(33)26-27(25-9-5-18-38-25)32(30(35)29(26)34)13-6-12-31-14-16-36-17-15-31/h2-5,7-11,18-19,27,33H,6,12-17,20H2,1H3/b28-26+InChIKey
RVJXYDKKYUJUHC-BYCLXTJYSA-NSynonyms
488826-87-5(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(2METHYL4PHENYLMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
488826875
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=CS5)O
InChI=1SC30H32N2O5Sc1211923(3720227324822)101124(21)28(33)2627(2595183825)32(30(35)29(26)34)1361231141636171531h2571118192733H6121720H21H3b2826+
MFCD18248492
O=C1C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1cccs1
ZINC000102881276
ZINC000102881278
Check stock
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Check stock on Vitas-MAvailable files
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