Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK569142
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C32H34N2O7 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7/c1-3-5-6-15-39-24-9-7-22(18-26(24)38-4-2)29-28(30(35)23-8-10-25-27(19-23)41-17-16-40-25)31(36)32(37)34(29)20-21-11-13-33-14-12-21/h7-14,18-19,29,35H,3-6,15-17,20H2,1-2H3/b30-28+InChIKey
CCCZHNLAEUEHKE-SJCQXOIGSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4(pentyloxy)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4PENTOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC32H34N2O7c13561539249722(1826(24)3842)2928(30(35)238102527(1923)4117164025)31(36)32(37)34(29)2021111333141221h71418192935H36151720H212H3b3028+
MFCD18245270
ZINC000102653386
ZINC000102653389
Check stock
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