Vitas-M small molecule compound
(Z)-(4-ethoxyphenyl)[2-(methoxycarbonyl)-2-(morpholin-4-ium-4-yl)-4,5-dioxo-1-phenylpyrrolidin-3-ylidene]methanolate
Catalog ID
STK566175
SMILES CCOc1ccc(cc1)/C(=C\1/C(=O)C(=O)N(C1(C(=O)OC)[NH+]1CCOCC1)c1ccccc1)/[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 C25H26N2O7 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O7/c1-3-34-19-11-9-17(10-12-19)21(28)20-22(29)23(30)27(18-7-5-4-6-8-18)25(20,24(31)32-2)26-13-15-33-16-14-26/h4-12,28H,3,13-16H2,1-2H3/b21-20+InChIKey
XFODXOXWVLUPIM-QZQOTICOSA-NSynonyms
(Z)(4ethoxyphenyl)(2(methoxycarbonyl)2(morpholin4ium4yl)45dioxo1phenylpyrrolidin3ylidene)methanolate
(Z)(4ethoxyphenyl)(2methoxycarbonyl2morpholin4ium4yl45dioxo1phenylpyrrolidin3ylidene)methanolate
CCOC1=CC=C(C=C1)C(=C2C(=O)C(=O)N(C2(C(=O)OC)(NH+)3CCOCC3)C4=CC=CC=C4)(O)
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1(C(=O)OC)(NH+)1CCOCC1)c1ccccc1)(O)
InChI=1SC25H26N2O7c13341911917(101219)21(28)2022(29)23(30)27(187546818)25(2024(31)322)26131533161426h41228H31316H212H3b2120+
METHYL(3Z)3((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)2MORPHOLIN4YL45DIOXO1PHENYLPYRROLIDINE2CARBOXYLATE
MFCD18244967
ZINC000102540108
ZINC000102540115
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