Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL045791
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCC[NH+](C)C)/[O-])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 C27H35N3O7 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O7/c1-8-37-27(34)21-15(2)19(16(3)28-21)23(31)20-22(17-11-9-12-18(35-6)25(17)36-7)30(26(33)24(20)32)14-10-13-29(4)5/h9,11-12,22,28,31H,8,10,13-14H2,1-7H3/b23-20+InChIKey
SNWJWCWKVOBMOA-BSYVCWPDSA-NSynonyms
845634-30-2(E)(2(23dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
845634302
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=C(C(=CC=C3)OC)OC)O)C
ETHYL4((E)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H35N3O7c183727(34)2115(2)19(16(3)2821)23(31)2022(171191218(356)25(17)367)30(26(33)24(20)32)14101329(4)5h91112222831H8101314H217H3b2320+
MFCD18248710
ZINC000102878457
ZINC000102878460
Check stock
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Check stock on Vitas-MAvailable files
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