Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-methoxyphenyl)methanolate
Catalog ID
STL039338
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC[NH+](CC)CC)/[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 C29H37ClN2O4 MW 513.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37ClN2O4/c1-7-31(8-2)16-9-17-32-25(19-10-13-21(14-11-19)29(3,4)5)24(27(34)28(32)35)26(33)20-12-15-23(36-6)22(30)18-20/h10-15,18,25,33H,7-9,16-17H2,1-6H3/b26-24+InChIKey
IUBSRQSDOBMVOM-SHHOIMCASA-NSynonyms
636991-82-7(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(3chloro4methoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4METHOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636991827
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(CC)CC)(O)
InChI=1SC29H37ClN2O4c1731(82)169173225(19101321(141119)29(34)5)24(27(34)28(32)35)26(33)20121523(366)22(30)1820h1015182533H791617H216H3b2624+
MFCD18247810
ZINC000009273197
ZINC000009273202
Check stock
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