Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562761
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCCn1cc[nH+]c1)/[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 C29H34N4O8 MW 566.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O8/c1-7-41-29(37)23-16(2)21(17(3)31-23)25(34)22-24(18-13-19(38-4)27(40-6)20(14-18)39-5)33(28(36)26(22)35)11-8-10-32-12-9-30-15-32/h9,12-15,24,31,34H,7-8,10-11H2,1-6H3/b25-22+InChIKey
BRSACNRPBVVMJM-YYDJUVGSSA-NSynonyms
(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCCn1cc(nH+)c1)(O))C
MFCD18244120
ZINC000102515272
ZINC000102515278
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