Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK564940
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)C(C)(C)C)C
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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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-28(2,3)20-10-7-18(8-11-20)24-23(26(32)27(33)30(24)14-6-13-29(4)5)25(31)19-9-12-21-22(17-19)35-16-15-34-21/h7-12,17,24,31H,6,13-16H2,1-5H3/b25-23+InChIKey
CAYRJXZAOLWHDN-WJTDDFOZSA-NSynonyms
618405-28-0(4E)5(4TERTBUTYLPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618405280
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1ccc(cc1)C(C)(C)C)C
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CCC(NH+)(C)C
InChI=1SC28H34N2O5c128(23)2010718(81120)2423(26(32)27(33)30(24)1461329(4)5)25(31)199122122(1719)3516153421h712172431H61316H215H3b2523+
MFCD18244653
ZINC000009311947
ZINC000009311948
Check stock
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Check stock on Vitas-MAvailable files
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