Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK564915
SMILES O=C1C(=O)/C(=C(\c2ccc(c(c2)C)OCc2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccncc1
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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 C31H33N3O5 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O5/c1-22-20-25(8-9-26(22)39-21-23-6-3-2-4-7-23)29(35)27-28(24-10-12-32-13-11-24)34(31(37)30(27)36)15-5-14-33-16-18-38-19-17-33/h2-4,6-13,20,28,35H,5,14-19,21H2,1H3/b29-27+InChIKey
VVYIXKBHQQSREP-ORIPQNMZSA-NSynonyms
(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3METHYL4PHENYLMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=NC=C4)(O))OCC5=CC=CC=C5
InChI=1SC31H33N3O5c1222025(8926(22)3921236324723)29(35)2728(24101232131124)34(31(37)30(27)36)1551433161838191733h24613202835H5141921H21H3b2927+
MFCD18244647
O=C1C(=O)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccncc1
ZINC000102531378
ZINC000102531387
Check stock
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Check stock on Vitas-MAvailable files
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