Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK562002
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCC[NH+](C)C)/[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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-6-16-35-20-11-8-18(9-12-20)25(30)23-24(19-10-13-21(33-4)22(17-19)34-5)29(27(32)26(23)31)15-7-14-28(2)3/h6,8-13,17,24,30H,1,7,14-16H2,2-5H3/b25-23+InChIKey
BWOYZKJDBGGQOD-WJTDDFOZSA-NSynonyms
613220-18-1(E)(2(34dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
613220181
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCC(NH+)(C)C)(O)
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)O)C(=O)C1=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC27H32N2O6c1616352011818(91220)25(30)2324(19101321(334)22(1719)345)29(27(32)26(23)31)1571428(2)3h6813172430H171416H225H3b2523+
MFCD09794179
ZINC000009241303
ZINC000009241305
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