Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate

Catalog ID
STK558838
SMILES CCCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C24H30N2O4S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O4S/c1-4-14-30-18-10-7-9-17(16-18)21-20(22(27)19-11-8-15-31-19)23(28)24(29)26(21)13-12-25(5-2)6-3/h7-11,15-16,21,27H,4-6,12-14H2,1-3H3/b22-20+
InChIKey
FMXRKEAASYACGF-LSDHQDQOSA-N
Synonyms

CCCOc1cccc(c1)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
MFCD18243123
ZINC000009177952
ZINC000009177955

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.