Vitas-M small molecule compound
(E)-{2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL052567
SMILES C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[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 C31H30N2O6 MW 526.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O6/c1-4-13-38-25-11-8-21(16-26(25)37-5-2)28-27(29(34)22-9-10-24-23(15-22)14-19(3)39-24)30(35)31(36)33(28)18-20-7-6-12-32-17-20/h4,6-12,15-17,19,28,34H,1,5,13-14,18H2,2-3H3/b29-27+InChIKey
CNWYVSXLKIMVDM-ORIPQNMZSA-NSynonyms
877777-97-4(4E)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4(prop2en1yloxy)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3ETHOXY4PROP2ENOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
877777974
C=CCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC5=C(NH+)=CC=C5)OCC=C
InChI=1SC31H30N2O6c1413382511821(1626(25)3752)2827(29(34)229102423(1522)1419(3)3924)30(35)31(36)33(28)18207612321720h46121517192834H15131418H223H3b2927+
MFCD18249475
ZINC000101310383
ZINC000101310393
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