Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene][5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL040220
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc[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 C29H31N3O8 MW 549.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O8/c1-7-40-29(36)23-15(2)21(16(3)31-23)25(33)22-24(18-11-19(37-4)27(39-6)20(12-18)38-5)32(28(35)26(22)34)14-17-9-8-10-30-13-17/h8-13,24,31,33H,7,14H2,1-6H3/b25-22+InChIKey
KBOVAYYHYNTLQC-YYDJUVGSSA-NSynonyms
877789-24-7(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
877789247
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)O)C
ETHYL4((E)(45DIOXO1(PYRIDIN3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC29H31N3O8c174029(36)2315(2)21(16(3)3123)25(33)2224(181119(374)27(396)20(1218)385)32(28(35)26(22)34)14179810301317h813243133H714H216H3b2522+
MFCD18247981
ZINC000102866640
ZINC000102866642
Check stock
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Check stock on Vitas-MAvailable files
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