Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL150799
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C26H31ClN2O4 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O4/c1-6-33-21-12-11-19(15-20(21)27)24(30)22-23(18-9-7-17(8-10-18)16(2)3)29(14-13-28(4)5)26(32)25(22)31/h7-12,15-16,23,30H,6,13-14H2,1-5H3/b24-22+InChIKey
NLRIHDSLOQCIHZ-ZNTNEXAZSA-NSynonyms
(4E)4((3chloro4ethoxyphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)5(4propan2ylphenyl)pyrrolidine23dione
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)C)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CC(NH+)(C)C)(O)
InChI=1SC26H31ClN2O4c163321121119(1520(21)27)24(30)2223(189717(81018)16(2)3)29(141328(4)5)26(32)25(22)31h71215162330H61314H215H3b2422+
MFCD20755905
ZINC000102931614
ZINC000102931617
Check stock
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Check stock on Vitas-MAvailable files
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