Vitas-M small molecule compound

1,1,3-trimethyl-2-[(1E,3E,5Z)-5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl]-1H-benzo[e]indolium

Catalog ID
STL059204
SMILES CN1c2ccc3c(c2C(/C/1=C/C=C/C=C/C1=[N+](C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3

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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 C35H35N2 MW 483.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N2/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6/h7-23H,1-6H3/q+1
InChIKey
ZBKIEXOQKDKCAE-UHFFFAOYSA-N
Synonyms

(2E)113TRIMETHYL2((2E4E)5(113TRIMETHYLBENZO(E)INDOL3IUM2YL)PENTA24DIENYLIDENE)BENZO(E)INDOLE
(2Z)113TRIMETHYL2((2E4E)5(113TRIMETHYLBENZO(E)INDOL3IUM2YL)PENTA24DIENYLIDENE)BENZO(E)INDOLE
(O)(Cl)(=O)(=O)=OCN1c2ccc3c(c2C(C1=CC=CC=CC1=(N+)(C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3
113trimethyl2((1E3E5Z)5(113trimethyl13dihydro2Hbenzo(e)indol2ylidene)penta13dien1yl)1Hbenzo(e)indolium
113trimethyl2((1E3E5Z)5(113trimethyl1Hbenzo(e)indol2(3H)ylidene)penta13dien1yl)1Hbenzo(e)indol3iumperchlorate
113TRIMETHYL2(5(113TRIMETHYLBENZO(E)INDOL3IUM2YL)PENTA24DIENYLIDENE)BENZO(E)INDOLE
2(5(113TRIMETHYL23DIHYDRO1HBENZO(E)INDOLE2YLIDENE)13PENTADIENYL)113TRIMETHYL1HBENZO(E)INDOLE3IUM
CC1(C(=(N+)(C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C
CN1c2ccc3c(c2C(C1=CC=CC=CC1=(N+)(C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3
InChI=1SC35H35N2c134(2)30(36(5)282220241410121626(24)32(28)34)18879193135(34)33271713111525(27)212329(33)37(31)6h723H16H3q+1
ZINC000008818248
ZINC08818248
ZINC36293713
ZINC8818248

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Available files

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