Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(3-phenoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK564840
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc[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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-20-16-23(13-14-26(20)37-2)29(34)27-28(33(31(36)30(27)35)19-21-8-7-15-32-18-21)22-9-6-12-25(17-22)38-24-10-4-3-5-11-24/h3-18,28,34H,19H2,1-2H3/b29-27+InChIKey
HOZMRXMKEQBKPS-ORIPQNMZSA-NSynonyms
488717-37-9(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2(3PHENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(45dioxo2(3phenoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
488717379
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC31H26N2O5c1201623(131426(20)372)29(34)2728(33(31(36)30(27)35)19218715321821)22961225(1722)3824104351124h3182834H19H212H3b2927+
MFCD18244632
ZINC000102530759
ZINC000102530767
Check stock
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Check stock on Vitas-MAvailable files
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