Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK568115
SMILES C[NH+](CCCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)C

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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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-16(2)32-20-12-8-18(9-13-20)23(29)21-22(17-6-10-19(28)11-7-17)27(25(31)24(21)30)15-5-14-26(3)4/h6-13,16,22,28-29H,5,14-15H2,1-4H3/b23-21+
InChIKey
LXOMYQCCEAIOSR-XTQSDGFTSA-N
Synonyms

(4E)1(3(DIMETHYLAMINO)PROPYL)5(4HYDROXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
C(NH+)(CCCN1C(c2ccc(cc2)O)C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)C
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)O)O
InChI=1SC25H30N2O5c116(2)322012818(91320)23(29)2122(1761019(28)11717)27(25(31)24(21)30)1551426(3)4h61316222829H51415H214H3b2321+
MFCD18245205
ZINC000102550745
ZINC000102550749

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Available files

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