Vitas-M small molecule compound
(E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK564263
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)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 C30H34N4O7 MW 562.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O7/c1-19-22(18-31-34(19)21-8-6-5-7-9-21)27(35)25-26(20-16-23(38-2)29(40-4)24(17-20)39-3)33(30(37)28(25)36)11-10-32-12-14-41-15-13-32/h5-9,16-18,26,35H,10-15H2,1-4H3/b27-25+InChIKey
RFRYPZZRTNDTQG-IMVLJIQESA-NSynonyms
(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=C(C(=C5)OC)OC)OC)O
COc1cc(cc(c1OC)OC)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC30H34N4O7c11922(183134(19)218657921)27(35)2526(201623(382)29(404)24(1720)393)33(30(37)28(25)36)111032121441151332h5916182635H1015H214H3b2725+
MFCD18244496
ZINC000102526835
ZINC000102526841
Check stock
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Check stock on Vitas-MAvailable files
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