Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562945
SMILES COc1ccc(cc1C)/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/c1-21-19-23(11-12-26(21)37-2)29(34)27-28(22-7-6-10-25(20-22)39-24-8-4-3-5-9-24)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
XLSHAFTXDXQHKH-ORIPQNMZSA-NSynonyms
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4METHOXY3METHYLBENZOYL)1(2MORPHOLINOETHYL)5(3PHENOXYPHENYL)1HPYRROL2(5H)ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CC(NH+)1CCOCC1)(O)
InChI=1SC31H32N2O6c1211923(111226(21)372)29(34)2728(22761025(2022)39248435924)33(31(36)30(27)35)141332151738181632h31219202834H1318H212H3b2927+
MFCD18244164
ZINC000102516576
ZINC000102516583
Check stock
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Check stock on Vitas-MAvailable files
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