Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK561591
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-15-6-8-18(9-7-15)22-20(23(31)19-16(2)21(26(34)35-4)28-17(19)3)24(32)25(33)30(22)12-5-11-29-13-10-27-14-29/h6-10,13-14,22,28,31H,5,11-12H2,1-4H3/b23-20+InChIKey
BQDAKWZHDSLNKW-BSYVCWPDSA-NSynonyms
844655-41-0(E)(1(3(1Himidazol3ium1yl)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
844655410
CC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)O)C(=O)C(=O)N2CCCN4C=CN=C4
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1cc(nH+)c1)(O))C
InChI=1SC26H28N4O5c1156818(9715)2220(23(31)1916(2)21(26(34)354)2817(19)3)24(32)25(33)30(22)12511291310271429h6101314222831H51112H214H3b2320+
METHYL4((4HYDROXY1(3IMIDAZOLYLPROPYL)2(4METHYLPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3IMIDAZOL1YLPROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243831
ZINC000102505320
ZINC000102505329
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