Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK564424
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccccc1OC)CC
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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 C27H35N3O6 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O6/c1-7-29(8-2)14-11-15-30-23(18-12-9-10-13-19(18)35-5)21(25(32)26(30)33)24(31)20-16(3)22(27(34)36-6)28-17(20)4/h9-10,12-13,23,28,31H,7-8,11,14-15H2,1-6H3/b24-21+InChIKey
HSULMDDRRFKJEI-DARPEHSRSA-NSynonyms
797020-73-6(E)(1(3(diethylammonio)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
797020736
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccccc1OC)CC
CCN(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=CC=C3OC
InChI=1SC27H35N3O6c1729(82)1411153023(18129101319(18)355)21(25(32)26(30)33)24(31)2016(3)22(27(34)366)2817(20)4h9101213232831H78111415H216H3b2421+
METHYL4((1(3(DIETHYLAMINO)PROPYL)4HYDROXY2(2METHOXYPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIETHYLAMINO)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244530
ZINC000009046602
ZINC000009046603
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