Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565316
SMILES COc1c(OC)cc(cc1OC)C1N(CCC[NH+]2CCOCC2)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 C29H37N3O9 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O9/c1-16-21(17(2)30-23(16)29(36)40-6)25(33)22-24(18-14-19(37-3)27(39-5)20(15-18)38-4)32(28(35)26(22)34)9-7-8-31-10-12-41-13-11-31/h14-15,24,30,33H,7-13H2,1-6H3/b25-22+InChIKey
JVTFBHMVPZODEE-YYDJUVGSSA-NSynonyms
(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)O)C)C(=O)OC
COc1c(OC)cc(cc1OC)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC29H37N3O9c11621(17(2)3023(16)29(36)406)25(33)2224(181419(373)27(395)20(1518)384)32(28(35)26(22)34)97831101241131131h1415243033H713H216H3b2522+
METHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO2(345TRIMETHOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244746
ZINC000102534149
ZINC000102534154
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