Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK560968
SMILES COc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-18(2)35-22-11-7-20(8-12-22)25(31)23-24(19-5-9-21(34-3)10-6-19)30(27(33)26(23)32)15-4-14-29-16-13-28-17-29/h5-13,16-18,24,31H,4,14-15H2,1-3H3/b25-23+InChIKey
HFJUMAVISXQKMA-WJTDDFOZSA-NSynonyms
385386-84-5(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
385386845
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4METHOXYPHENYL)4((4(METHYLETHOXY)PHENYL)CARBONYL)3PYRROLIN2ONE
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OC)O
COc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC27H29N3O5c118(2)352211720(81222)25(31)2324(195921(343)10619)30(27(33)26(23)32)15414291613281729h51316182431H41415H213H3b2523+
MFCD18243677
ZINC000102500509
ZINC000102500519
Check stock
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Check stock on Vitas-MAvailable files
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