Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL056517
SMILES COc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C31H35N3O7 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O7/c1-20(2)9-14-39-23-7-5-21(17-25(23)38-3)28-27(29(35)22-6-8-24-26(18-22)41-16-15-40-24)30(36)31(37)34(28)12-4-11-33-13-10-32-19-33/h5-8,10,13,17-20,28,35H,4,9,11-12,14-16H2,1-3H3/b29-27+InChIKey
XQZCCTGJEMAZGJ-ORIPQNMZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3METHOXY4(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)2(3methoxy4(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)methanolate
CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)OC
COc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC31H35N3O7c120(2)91439237521(1725(23)383)2827(29(35)22682426(1822)4116154024)30(36)31(37)34(28)12411331310321933h58101317202835H4911121416H213H3b2927+
MFCD18249744
ZINC000102895475
ZINC000102895479
Check stock
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