Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL042487
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1cccc(c1)OCCC(C)C)CC
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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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-5-32(6-2)14-8-15-33-28(22-9-7-10-24(19-22)37-16-13-21(3)4)27(30(35)31(33)36)29(34)23-11-12-25-26(20-23)39-18-17-38-25/h7,9-12,19-21,28,34H,5-6,8,13-18H2,1-4H3/b29-27+InChIKey
CAVJSWUDMBLEAW-ORIPQNMZSA-NSynonyms
577990-86-4(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3(3METHYLBUTOXY)PHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
577990864
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1cccc(c1)OCCC(C)C)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC(=CC=C4)OCCC(C)C
InChI=1SC31H40N2O6c1532(62)148153328(22971024(1922)37161321(3)4)27(30(35)31(33)36)29(34)2311122526(2023)3918173825h791219212834H5681318H214H3b2927+
MFCD18248166
ZINC000102869474
ZINC000102869477
Check stock
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