Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl][2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK565997
SMILES CCOc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OCC)/[O-]
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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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-5-36-20-11-9-19(10-12-20)24-22(26(33)27(34)31(24)15-18-8-7-13-29-14-18)25(32)21-16(3)23(30-17(21)4)28(35)37-6-2/h7-14,24,30,32H,5-6,15H2,1-4H3/b25-22+InChIKey
BHXFFKFFZYTHNU-YYDJUVGSSA-NSynonyms
845801-74-3(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
845801743
CCOC1=CC=C(C=C1)C2C(=C(C3=C(NC(=C3C)C(=O)OCC)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCOc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OCC)(O)
ETHYL4((E)(2(4ETHOXYPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC28H29N3O6c15362011919(101220)2422(26(33)27(34)31(24)15188713291418)25(32)2116(3)23(3017(21)4)28(35)3762h714243032H5615H214H3b2522+
MFCD18244914
ZINC000102538750
ZINC000102538755
Check stock
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Check stock on Vitas-MAvailable files
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