Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-methoxyphenyl]-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL051766
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(c(c1)OC)OCc1ccccc1)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 C34H38N2O7 MW 586.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O7/c1-4-35(5-2)16-9-17-36-31(24-12-14-26(28(20-24)40-3)43-22-23-10-7-6-8-11-23)30(33(38)34(36)39)32(37)25-13-15-27-29(21-25)42-19-18-41-27/h6-8,10-15,20-21,31,37H,4-5,9,16-19,22H2,1-3H3/b32-30+InChIKey
HFCPKNHJNHXJKS-NHQGMKOOSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3METHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3METHOXY4PHENYLMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
(E)(2(4(benzyloxy)3methoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1ccc(c(c1)OC)OCc1ccccc1)CC
InChI=1SC34H38N2O7c1435(52)169173631(24121426(28(2024)403)432223107681123)30(33(38)34(36)39)32(37)2513152729(2125)4219184127h68101520213137H459161922H213H3b3230+
MFCD18249420
ZINC000102888992
ZINC000102888993
Check stock
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