Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL037278
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+](C)C
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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 C24H27ClN2O4 MW 442.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN2O4/c1-4-14-31-19-7-5-6-17(15-19)21-20(22(28)16-8-10-18(25)11-9-16)23(29)24(30)27(21)13-12-26(2)3/h5-11,15,21,28H,4,12-14H2,1-3H3/b22-20+InChIKey
LSTIYOXTSWLBEL-LSDHQDQOSA-NSynonyms
620138-79-6(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(2(dimethylammonio)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
620138796
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC24H27ClN2O4c1414311975617(1519)2120(22(28)1681018(25)11916)23(29)24(30)27(21)131226(2)3h511152128H41214H213H3b2220+
MFCD18247393
ZINC000102858197
ZINC000102858200
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