Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL044353
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)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 C29H34N4O5 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O5/c1-17-21(18(2)31-23(17)28(37)38-6)25(34)22-24(19-8-10-20(11-9-19)29(3,4)5)33(27(36)26(22)35)14-7-13-32-15-12-30-16-32/h8-12,15-16,24,31,34H,7,13-14H2,1-6H3/b25-22+InChIKey
WUBBWFZJSFPEOH-YYDJUVGSSA-NSynonyms
846063-66-9(E)(2(4tertbutylphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
846063669
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)C(C)(C)C)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCCn1cc(nH+)c1)(O))C
InChI=1SC29H34N4O5c11721(18(2)3123(17)28(37)386)25(34)2224(1981020(11919)29(34)5)33(27(36)26(22)35)14713321512301632h8121516243134H71314H216H3b2522+
METHYL4((2(4(TERTBUTYL)PHENYL)4HYDROXY1(3IMIDAZOLYLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4TERTBUTYLPHENYL)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248403
ZINC000102875463
ZINC000102875467
Check stock
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