Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL048077
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C34H30N2O7 MW 578.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O7/c1-2-40-28-18-24(8-10-27(28)43-21-23-6-4-3-5-7-23)31-30(32(37)25-9-11-26-29(19-25)42-17-16-41-26)33(38)34(39)36(31)20-22-12-14-35-15-13-22/h3-15,18-19,31,37H,2,16-17,20-21H2,1H3/b32-30+InChIKey
YKXGSYVEAFJMHI-NHQGMKOOSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4(benzyloxy)3ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4PHENYLMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=NC=C5)OCC6=CC=CC=C6
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC34H30N2O7c1240281824(81027(28)4321236435723)3130(32(37)259112629(1925)4217164126)33(38)34(39)36(31)2022121435151322h31518193137H216172021H21H3b3230+
MFCD18249169
ZINC000102884071
ZINC000102884073
Check stock
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