Vitas-M small molecule compound
(E)-(4-bromophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL038925
SMILES Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCCn1cc[nH+]c1)/[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 C23H19BrN4O5 MW 511.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O5/c24-17-6-2-16(3-7-17)21(29)19-20(15-4-8-18(9-5-15)28(32)33)27(23(31)22(19)30)12-1-11-26-13-10-25-14-26/h2-10,13-14,20,29H,1,11-12H2/b21-19+InChIKey
DVBSSKUWLDJLJX-XUTLUUPISA-NSynonyms
440096-89-9(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(1(3(1Himidazol3ium1yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
440096899
Brc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCCn1cc(nH+)c1)(O)
C1=CC(=CC=C1C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN4C=CN=C4)(N+)(=O)(O)
InChI=1SC23H19BrN4O5c24176216(3717)21(29)1920(154818(9515)28(32)33)27(23(31)22(19)30)12111261310251426h21013142029H11112H2b2119+
MFCD18247732
ZINC000101062467
ZINC000101062469
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