Vitas-M small molecule compound
(E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL039472
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)c1cccc[nH+]1)/[O-])C
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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 C25H21BrN2O4 MW 493.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O4/c1-15(2)32-19-11-9-16(10-12-19)23(29)21-22(17-6-5-7-18(26)14-17)28(25(31)24(21)30)20-8-3-4-13-27-20/h3-15,22,29H,1-2H3/b23-21+InChIKey
CEGHKIWCWWHDSH-XTQSDGFTSA-NSynonyms
371205-96-8(4E)5(3BROMOPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(3bromophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371205968
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=CC=C4)Br)O
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)c1cccc(nH+)1)(O))C
InChI=1SC25H21BrN2O4c115(2)321911916(101219)23(29)2122(1765718(26)1417)28(25(31)24(21)30)20834132720h3152229H12H3b2321+
MFCD18247840
ZINC000102368933
ZINC000102368937
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