Vitas-M small molecule compound
(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STL040282
SMILES Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C23H17BrN2O3 MW 449.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O3/c24-18-10-8-16(9-11-18)20-19(21(27)17-6-2-1-3-7-17)22(28)23(29)26(20)14-15-5-4-12-25-13-15/h1-13,20,27H,14H2/b21-19+InChIKey
PCEBJUBIXOFVSH-XUTLUUPISA-NSynonyms
371138-11-3(4E)5(4BROMOPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(phenyl)methanolate
371138113
Brc1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Br)(O)
InChI=1SC23H17BrN2O3c241810816(91118)2019(21(27)176213717)22(28)23(29)26(20)14155412251315h1132027H14H2b2119+
MFCD18247998
ZINC000101069961
ZINC000101069962
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