Vitas-M small molecule compound

(E)-{2-[3-(benzyloxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STK560602
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)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 C33H34N2O6 MW 554.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O6/c1-22-18-26-19-25(10-11-28(26)41-22)31(36)29-30(35(33(38)32(29)37)13-12-34-14-16-39-17-15-34)24-8-5-9-27(20-24)40-21-23-6-3-2-4-7-23/h2-11,19-20,22,30,36H,12-18,21H2,1H3/b31-29+
InChIKey
RUJFDJFCVACWIU-OWWNRXNESA-N
Synonyms

(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(3(benzyloxy)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2METHYL23DIHYDRO1BENZOFURAN5YL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PHENYLMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=CC=C5)OCC6=CC=CC=C6)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CC(NH+)1CCOCC1)(O)
InChI=1SC33H34N2O6c12218261925(101128(26)4122)31(36)2930(35(33(38)32(29)37)131234141639171534)2485927(2024)4021236324723h2111920223036H121821H21H3b3129+
MFCD18243579
ZINC000102497334
ZINC000102644057

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Available files

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