Vitas-M small molecule compound
(E)-[2-(3-butoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL057025
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C30H30N2O5 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O5/c1-3-4-14-36-24-7-5-6-21(17-24)27-26(28(33)22-8-9-25-23(16-22)15-19(2)37-25)29(34)30(35)32(27)18-20-10-12-31-13-11-20/h5-13,16-17,19,27,33H,3-4,14-15,18H2,1-2H3/b28-26+InChIKey
KICGFZQYNWRKTI-BYCLXTJYSA-NSynonyms
(4E)5(3BUTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3BUTOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3butoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC30H30N2O5c13414362475621(1724)2726(28(33)22892523(1622)1519(2)3725)29(34)30(35)32(27)1820101231131120h5131617192733H34141518H212H3b2826+
MFCD18249784
ZINC000102896380
ZINC000102896386
Check stock
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Check stock on Vitas-MAvailable files
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