Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150394
SMILES COC(=O)c1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C27H31N3O8 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O8/c1-15-19(16(2)28-21(15)27(35)37-4)23(31)20-22(17-5-7-18(8-6-17)26(34)36-3)30(25(33)24(20)32)10-9-29-11-13-38-14-12-29/h5-8,22,28,31H,9-14H2,1-4H3/b23-20+InChIKey
OQNZXAUOEZPPPM-BSYVCWPDSA-NSynonyms
586984-44-3(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4(methoxycarbonyl)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHOXYCARBONYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
586984443
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)C(=O)OC)(O))C)C(=O)OC
COC(=O)c1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H31N3O8c11519(16(2)2821(15)27(35)374)23(31)2022(175718(8617)26(34)363)30(25(33)24(20)32)10929111338141229h58222831H914H214H3b2320+
METHYL4((4HYDROXY2(4(METHOXYCARBONYL)PHENYL)1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(2(4METHOXYCARBONYLPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755816
ZINC000102930582
ZINC000102930584
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