Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL149524
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCCn1c[nH+]cc1)/[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 C30H35N3O4 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O4/c1-5-19-37-24-13-9-22(10-14-24)27(34)25-26(21-7-11-23(12-8-21)30(2,3)4)33(29(36)28(25)35)17-6-16-32-18-15-31-20-32/h7-15,18,20,26,34H,5-6,16-17,19H2,1-4H3/b27-25+InChIKey
UPFIRFUEHBPYDT-IMVLJIQESA-NSynonyms
636992-21-7(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(4(TERTBUTYL)PHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
636992217
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)C(C)(C)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCCn1c(nH+)cc1)(O)
InChI=1SC30H35N3O4c1519372413922(101424)27(34)2526(2171123(12821)30(23)4)33(29(36)28(25)35)17616321815312032h71518202634H56161719H214H3b2725+
MFCD20755620
ZINC000102929819
ZINC000102929820
Check stock
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