Vitas-M small molecule compound

(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STK565440
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)C(C)C)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 C29H39N3O5 MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O5/c1-8-31(9-2)15-10-16-32-25(21-13-11-20(12-14-21)17(3)4)23(27(34)28(32)35)26(33)22-18(5)24(29(36)37-7)30-19(22)6/h11-14,17,25,30,33H,8-10,15-16H2,1-7H3/b26-23+
InChIKey
JPNACNSONQMFGC-WNAAXNPUSA-N
Synonyms
797797-68-3
(E)(1(3(diethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
797797683
CC(NH+)(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)C
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccc(cc1)C(C)C)CC
InChI=1SC29H39N3O5c1831(92)1510163225(21131120(121421)17(3)4)23(27(34)28(32)35)26(33)2218(5)24(29(36)377)3019(22)6h111417253033H8101516H217H3b2623+
METHYL4((1(3(DIETHYLAMINO)PROPYL)4HYDROXY2(4(METHYLETHYL)PHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIETHYLAMINO)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244787
ZINC000009301989
ZINC000009301990

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Available files

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