Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}methanolate

Catalog ID
STL048602
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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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 C30H36N2O7 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O7/c1-2-3-4-14-37-23-7-5-6-21(19-23)27-26(28(33)22-8-9-24-25(20-22)39-18-17-38-24)29(34)30(35)32(27)11-10-31-12-15-36-16-13-31/h5-9,19-20,27,33H,2-4,10-18H2,1H3/b28-26+
InChIKey
RTECBGFGNVUJTG-BYCLXTJYSA-N
Synonyms
573932-31-7
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(morpholin4ium4yl)ethyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PENTOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
573932317
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC30H36N2O7c123414372375621(1923)2726(28(33)22892425(2022)3918173824)29(34)30(35)32(27)111031121536161331h5919202733H241018H21H3b2826+
MFCD18249209
ZINC000102884748
ZINC000102884750

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Available files

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