Vitas-M small molecule compound

4-[(1E,3Z,5E)-3-methyl-5-(1-phenylquinolin-4(1H)-ylidene)penta-1,3-dien-1-yl]-1-phenylquinolinium

Catalog ID
STL058944
SMILES C/C(=C/C=c/1\ccn(c2c1cccc2)c1ccccc1)/C=C/c1cc[n+](c2c1cccc2)c1ccccc1

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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 C36H29N2 MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N2/c1-28(20-22-29-24-26-37(31-12-4-2-5-13-31)35-18-10-8-16-33(29)35)21-23-30-25-27-38(32-14-6-3-7-15-32)36-19-11-9-17-34(30)36/h2-27H,1H3/q+1
InChIKey
FPUCBTAFAPGWST-UHFFFAOYSA-N
Synonyms

(4E)4((2Z4E)3methyl5(1phenylquinolin1ium4yl)penta24dienylidene)1phenylquinoline
(O)(Cl)(=O)(=O)=OCC(=CC=c1ccn(c2c1cccc2)c1ccccc1)C=Cc1cc(n+)(c2c1cccc2)c1ccccc1
4((1E3Z5E)3methyl5(1phenylquinolin4(1H)ylidene)penta13dien1yl)1phenylquinolin1iumperchlorate
4((1E3Z5E)3methyl5(1phenylquinolin4(1H)ylidene)penta13dien1yl)1phenylquinolinium
4(3METHYL5(1PHENYLQUINOLIN1IUM4YL)PENTA24DIENYLIDENE)1PHENYLQUINOLINE
4(3METHYL5(1PHENYLQUINOLIN4(1H)YLIDENE)PENTA13DIEN1YL)1PHENYLQUINOLINIUM
CC(=CC=C1C=CN(C2=CC=CC=C12)C3=CC=CC=C3)C=CC4=CC=(N+)(C5=CC=CC=C45)C6=CC=CC=C6
CC(=CC=c1ccn(c2c1cccc2)c1ccccc1)C=Cc1cc(n+)(c2c1cccc2)c1ccccc1
InChI=1SC36H29N2c128(202229242637(31124251331)35181081633(29)35)212330252738(32146371532)36191191734(30)36h227H1H3q+1
ZINC000008926132
ZINC08926132
ZINC8926132

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Available files

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