Vitas-M small molecule compound

1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethoxybenzyl]-6,7-dimethoxy-2-methylisoquinolinium

Catalog ID
STK665152
SMILES COc1cc(c(cc1OC)Cc1[n+](C)ccc2c1cc(OC)c(c2)OC)n1c(C)ccc1C

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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 C27H31N2O4 MW 447.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N2O4/c1-17-8-9-18(2)29(17)22-16-27(33-7)25(31-5)14-20(22)12-23-21-15-26(32-6)24(30-4)13-19(21)10-11-28(23)3/h8-11,13-16H,12H2,1-7H3/q+1
InChIKey
UOJWCTCCZRKPAY-UHFFFAOYSA-N
Synonyms

1((2(25DIMETHYLPYRROL1YL)45DIMETHOXYPHENYL)METHYL)67DIMETHOXY2METHYLISOQUINOLIN2IUM
1(2(25dimethyl1Hpyrrol1yl)45dimethoxybenzyl)67dimethoxy2methylisoquinolinium
CC1=CC=C(N1C2=CC(=C(C=C2CC3=(N+)(C=CC4=CC(=C(C=C43)OC)OC)C)OC)OC)C
COc1cc(c(cc1OC)Cc1(n+)(C)ccc2c1cc(OC)c(c2)OC)n1c(C)ccc1C
InChI=1SC27H31N2O4c1178918(2)29(17)221627(337)25(315)1420(22)1223211526(326)24(304)1319(21)101128(23)3h8111316H12H217H3q+1
ZINC000012462466
ZINC12462466

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Available files

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