Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL039513
SMILES COC(=O)c1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C25H29N3O7 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O7/c1-13-17(14(2)26-19(13)25(33)35-6)21(29)18-20(15-7-9-16(10-8-15)24(32)34-5)28(12-11-27(3)4)23(31)22(18)30/h7-10,20,26,29H,11-12H2,1-6H3/b21-18+
InChIKey
QZFZLOLVDNWJHK-DYTRJAOYSA-N
Synonyms
843629-67-4
(E)(1(2(dimethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
843629674
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(=O)OC)O)C)C(=O)OC
COC(=O)c1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC25H29N3O7c11317(14(2)2619(13)25(33)356)21(29)1820(157916(10815)24(32)345)28(121127(3)4)23(31)22(18)30h710202629H1112H216H3b2118+
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(4(METHOXYCARBONYL)PHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(4(METHOXYCARBONYL)PHENYL)5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
methyl4((E)(1(2(dimethylamino)ethyl)2(4methoxycarbonylphenyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247845
ZINC000102863690
ZINC000102863692

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Available files

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