Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL149225
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC[NH+]1CCOCC1)/[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 C26H30ClN3O6 MW 515.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN3O6/c1-15-19(16(2)28-21(15)26(34)35-3)23(31)20-22(17-5-7-18(27)8-6-17)30(25(33)24(20)32)10-4-9-29-11-13-36-14-12-29/h5-8,22,28,31H,4,9-14H2,1-3H3/b23-20+InChIKey
HPUYFHSBKSXPHB-BSYVCWPDSA-NSynonyms
638134-45-9(E)(2(4chlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4CHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
638134459
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)Cl)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC(NH+)1CCOCC1)(O))C
InChI=1SC26H30ClN3O6c11519(16(2)2821(15)26(34)353)23(31)2022(175718(27)8617)30(25(33)24(20)32)104929111336141229h58222831H4914H213H3b2320+
METHYL4((2(4CHLOROPHENYL)4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4CHLOROPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755557
ZINC000102928352
ZINC000102928353
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