Vitas-M small molecule compound
(E)-(4-bromophenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044779
SMILES Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1[N+](=O)[O-])CC[NH+]1CCOCC1)/[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 C23H22BrN3O6 MW 516.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O6/c24-16-7-5-15(6-8-16)21(28)19-20(17-3-1-2-4-18(17)27(31)32)26(23(30)22(19)29)10-9-25-11-13-33-14-12-25/h1-8,20,28H,9-14H2/b21-19+InChIKey
NZGTURZHNRWRCN-XUTLUUPISA-NSynonyms
(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(2NITROPHENYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(1(2(morpholin4ium4yl)ethyl)2(2nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BROMOPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)2(2NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
Brc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1(N+)(=O)(O))CC(NH+)1CCOCC1)(O)
C1COCCN1CCN2C(C(=C(C3=CC=C(C=C3)Br)O)C(=O)C2=O)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC23H22BrN3O6c24167515(6816)21(28)1920(17312418(17)27(31)32)26(23(30)22(19)29)10925111333141225h182028H914H2b2119+
MFCD18248482
ZINC000101062537
ZINC000101062539
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