Vitas-M small molecule compound

(E)-[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL037968
SMILES CCOc1ccc(cc1OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-6-38-25-12-9-22(15-26(25)37-5)28-27(30(35)31(36)33(28)17-21-8-7-13-32-16-21)29(34)23-10-11-24(20(4)14-23)39-18-19(2)3/h7-16,19,28,34H,6,17-18H2,1-5H3/b29-27+
InChIKey
VFGFNUSISZEZLM-ORIPQNMZSA-N
Synonyms
487024-66-8
(4E)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(4ethoxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
487024668
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)OC
CCOc1ccc(cc1OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC31H34N2O6c16382512922(1526(25)375)2827(30(35)31(36)33(28)17218713321621)29(34)23101124(20(4)1423)391819(2)3h716192834H61718H215H3b2927+
MFCD18247527
ZINC000102859692
ZINC000102859694

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Available files

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