Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL049509
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)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 C31H35N3O5 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O5/c1-20(2)10-15-38-25-7-4-6-22(18-25)28-27(29(35)23-8-9-26-24(17-23)16-21(3)39-26)30(36)31(37)34(28)13-5-12-33-14-11-32-19-33/h4,6-9,11,14,17-21,28,35H,5,10,12-13,15-16H2,1-3H3/b29-27+InChIKey
AAULGPJBJLMINA-ORIPQNMZSA-NSynonyms
844449-54-3(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(3(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
844449543
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)OCCC(C)C)O
InChI=1SC31H35N3O5c120(2)1015382574622(1825)2827(29(35)23892624(1723)1621(3)3926)30(36)31(37)34(28)13512331411321933h469111417212835H51012131516H213H3b2927+
MFCD18249272
ZINC000102076650
ZINC000102076666
Check stock
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