Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL040426
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)C(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 C29H39N3O5 MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O5/c1-9-31(10-2)15-16-32-24(19-11-13-20(14-12-19)29(5,6)7)22(26(34)27(32)35)25(33)21-17(3)23(28(36)37-8)30-18(21)4/h11-14,24,30,33H,9-10,15-16H2,1-8H3/b25-22+InChIKey
UUXLETNJIBFFGF-YYDJUVGSSA-NSynonyms
845903-58-4(E)(2(4tertbutylphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845903584
CC(NH+)(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)C
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccc(cc1)C(C)(C)C)CC
InChI=1SC29H39N3O5c1931(102)15163224(19111320(141219)29(56)7)22(26(34)27(32)35)25(33)2117(3)23(28(36)378)3018(21)4h1114243033H9101516H218H3b2522+
METHYL4((1(2(DIETHYLAMINO)ETHYL)2(4(TERTBUTYL)PHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4TERTBUTYLPHENYL)1(2DIETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248032
ZINC000008837918
ZINC000008903821
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