Vitas-M small molecule compound

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

Catalog ID
STL150693
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[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 C24H30N2O4S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O4S/c1-5-6-13-30-18-10-9-17(15-16(18)2)22(27)20-21(19-8-7-14-31-19)26(12-11-25(3)4)24(29)23(20)28/h7-10,14-15,21,27H,5-6,11-13H2,1-4H3/b22-20+
InChIKey
VROUSIXTFHYMBU-LSDHQDQOSA-N
Synonyms

(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=CS3)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC24H30N2O4Sc15613301810917(1516(18)2)22(27)2021(1987143119)26(121125(3)4)24(29)23(20)28h71014152127H561113H214H3b2220+
MFCD20755890
ZINC000102932407
ZINC000102932409

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Available files

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