Vitas-M small molecule compound
(E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL039150
SMILES CCOc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(C)C)/[O-]
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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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-5-36-24-14-20(8-10-22(24)32)26-25(27(33)21-9-11-23(18(4)13-21)37-17(2)3)28(34)29(35)31(26)16-19-7-6-12-30-15-19/h6-15,17,26,32-33H,5,16H2,1-4H3/b27-25+InChIKey
LAFKZSAJKCBMAE-IMVLJIQESA-NSynonyms
(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
5(3ETHOXY4HYDROXYPHENYL)3HYDROXY4(4ISOPROPOXY3METHYLBENZOYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=C(C=C3)OC(C)C)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)O
CCOc1cc(ccc1O)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC(C)C)(O)
InChI=1SC29H30N2O6c1536241420(81022(24)32)2625(27(33)2191123(18(4)1321)3717(2)3)28(34)29(35)31(26)16197612301519h61517263233H516H214H3b2725+
MFCD18247782
ZINC000102862652
ZINC000102862655
Check stock
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Check stock on Vitas-MAvailable files
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