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-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL147410
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccncc1
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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 C26H27N5O4 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O4/c1-18-21(17-28-31(18)20-5-3-2-4-6-20)24(32)22-23(19-7-9-27-10-8-19)30(26(34)25(22)33)12-11-29-13-15-35-16-14-29/h2-10,17,23,32H,11-16H2,1H3/b24-22+InChIKey
KOYQMBJSYIEBOO-ZNTNEXAZSA-NSynonyms
(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(4Z)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)5(4PYRIDYL)3PYRROLIN2ONE
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=NC=C5)(O)
InChI=1SC26H27N5O4c11821(172831(18)205324620)24(32)2223(19792710819)30(26(34)25(22)33)121129131535161429h210172332H1116H21H3b2422+
MFCD20755193
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CC(NH+)1CCOCC1)c1ccncc1
ZINC000102925260
ZINC000102925264
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