Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL045692
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C29H31N3O5 MW 501.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5/c1-6-37-29(36)24-17(4)22(18(5)31-24)26(33)23-25(21-11-9-20(10-12-21)16(2)3)32(28(35)27(23)34)15-19-8-7-13-30-14-19/h7-14,16,25,31,33H,6,15H2,1-5H3/b26-23+InChIKey
JDQOQXXWFZEISC-WNAAXNPUSA-NSynonyms
847045-32-3(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847045323
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)C(C)C)(O))C
ETHYL4((E)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC29H31N3O5c163729(36)2417(4)22(18(5)3124)26(33)2325(2111920(101221)16(2)3)32(28(35)27(23)34)15198713301419h71416253133H615H215H3b2623+
MFCD18248687
ZINC000102878129
ZINC000102878132
Check stock
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