Vitas-M small molecule compound
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK561753
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(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/c1-16-21(17(2)31-23(16)28(36)37-6)25(33)22-24(19-9-11-20(12-10-19)29(3,4)5)32(27(35)26(22)34)15-18-8-7-13-30-14-18/h7-14,24,31,33H,15H2,1-6H3/b25-22+InChIKey
LRNKEUSNPMOVOF-YYDJUVGSSA-NSynonyms
797015-95-3(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
797015953
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=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)Cc1ccc(nH+)c1)(O))C
InChI=1SC29H31N3O5c11621(17(2)3123(16)28(36)376)25(33)2224(1991120(121019)29(34)5)32(27(35)26(22)34)15188713301418h714243133H15H216H3b2522+
METHYL4((E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243879
ZINC000102506738
ZINC000102506746
Check stock
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