Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL044844
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)C(C)C)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 C28H37N3O5 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O5/c1-8-30(9-2)14-15-31-24(20-12-10-19(11-13-20)16(3)4)22(26(33)27(31)34)25(32)21-17(5)23(28(35)36-7)29-18(21)6/h10-13,16,24,29,32H,8-9,14-15H2,1-7H3/b25-22+
InChIKey
JSLLPEJQXDJOAC-YYDJUVGSSA-N
Synonyms
840479-81-4
(E)(1(2(diethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
840479814
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccc(cc1)C(C)C)CC
CCN(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)C
InChI=1SC28H37N3O5c1830(92)14153124(20121019(111320)16(3)4)22(26(33)27(31)34)25(32)2117(5)23(28(35)367)2918(21)6h101316242932H891415H217H3b2522+
methyl4((E)(1(2(diethylamino)ethyl)45dioxo2(4propan2ylphenyl)pyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(1(2DIETHYLAMINOETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248502
ZINC000102880468
ZINC000102880471

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Available files

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