Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{4,5-dioxo-2-[3-(pentyloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL049423
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C30H30N2O6 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O6/c1-2-3-4-13-36-23-9-5-8-21(16-23)27-26(28(33)22-10-11-24-25(17-22)38-15-14-37-24)29(34)30(35)32(27)19-20-7-6-12-31-18-20/h5-12,16-18,27,33H,2-4,13-15,19H2,1H3/b28-26+InChIKey
VEVBPCRYYSRXRY-BYCLXTJYSA-NSynonyms
575460-74-1(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PENTOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(45dioxo2(3(pentyloxy)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(45DIOXO2(3PENTOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
575460741
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=C(NH+)=CC=C5
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC30H30N2O6c123413362395821(1623)2726(28(33)2210112425(1722)3815143724)29(34)30(35)32(27)19207612311820h51216182733H24131519H21H3b2826+
MFCD18249265
ZINC000102885599
ZINC000102885601
Check stock
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