Vitas-M small molecule compound

(E)-(4-methoxy-2-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK561216
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CC[NH+]1CCOCC1)/[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 C31H32N2O6 MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6/c1-21-19-24(37-2)11-12-26(21)29(34)27-28(22-7-6-10-25(20-22)39-23-8-4-3-5-9-23)33(31(36)30(27)35)14-13-32-15-17-38-18-16-32/h3-12,19-20,28,34H,13-18H2,1-2H3/b29-27+
InChIKey
KCBWTDVELAWQQX-ORIPQNMZSA-N
Synonyms
383901-24-4
(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy2methylphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY2METHYLPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
383901244
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CC(NH+)1CCOCC1)(O)
InChI=1SC31H32N2O6c1211924(372)111226(21)29(34)2728(22761025(2022)39238435923)33(31(36)30(27)35)141332151738181632h31219202834H1318H212H3b2927+
MFCD18243731
ZINC000102502285
ZINC000102502294

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Available files

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