Vitas-M small molecule compound
(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL043452
SMILES CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc[nH+]c1)/[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 C27H25BrN2O4 MW 521.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O4/c1-16(2)34-22-11-8-20(13-17(22)3)25(31)23-24(19-6-9-21(28)10-7-19)30(27(33)26(23)32)15-18-5-4-12-29-14-18/h4-14,16,24,31H,15H2,1-3H3/b25-23+InChIKey
ZIYWNACIJPVTHP-WJTDDFOZSA-NSynonyms
(4E)5(4BROMOPHENYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
5(4BROMOPHENYL)3HYDROXY4(4ISOPROPOXY3METHYLBENZOYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CC(Oc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Br)(O))OC(C)C
InChI=1SC27H25BrN2O4c116(2)342211820(1317(22)3)25(31)2324(196921(28)10719)30(27(33)26(23)32)15185412291418h414162431H15H213H3b2523+
MFCD18248217
ZINC000102377670
ZINC000102377673
Check stock
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