Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[2-(diethylammonio)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046645
SMILES CCOc1ccc(cc1OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[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 C34H40N2O6 MW 572.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N2O6/c1-6-35(7-2)18-19-36-31(25-14-17-28(41-8-3)29(21-25)40-5)30(33(38)34(36)39)32(37)27-16-15-26(20-23(27)4)42-22-24-12-10-9-11-13-24/h9-17,20-21,31,37H,6-8,18-19,22H2,1-5H3/b32-30+InChIKey
HWIVJZAKSPXJMJ-NHQGMKOOSA-NSynonyms
(4E)1(2DIETHYLAMINOETHYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(2(diethylammonio)ethyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)2METHYLBENZOYL)1(2(DIETHYLAMINO)ETHYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY1HPYRROL2(5H)ONE
CC(NH+)(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC)OC
CCOc1ccc(cc1OC)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
InChI=1SC34H40N2O6c1635(72)18193631(25141728(4183)29(2125)405)30(33(38)34(36)39)32(37)27161526(2023(27)4)42222412109111324h91720213137H68181922H215H3b3230+
MFCD18248893
ZINC000102880617
ZINC000102880620
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