Vitas-M small molecule compound

(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STL044797
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(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 C30H40N2O5 MW 508.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O5/c1-6-20-36-24-14-12-23(13-15-24)28(33)26-27(22-10-16-25(17-11-22)37-21(4)5)32(30(35)29(26)34)19-9-18-31(7-2)8-3/h10-17,21,27,33H,6-9,18-20H2,1-5H3/b28-26+
InChIKey
OLJXOCUODGTXSF-BYCLXTJYSA-N
Synonyms
615270-79-6
(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)3HYDROXY5(4(METHYLETHOXY)PHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615270796
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(CC)CC)C3=CC=C(C=C3)OC(C)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CCC(NH+)(CC)CC)(O)
InChI=1SC30H40N2O5c16203624141223(131524)28(33)2627(22101625(171122)3721(4)5)32(30(35)29(26)34)1991831(72)83h1017212733H691820H215H3b2826+
MFCD18248489
ZINC000102880899
ZINC000102880903

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Available files

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