Vitas-M small molecule compound

6-(benzyloxy)-1-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium

Catalog ID
STL553204
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

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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 C31H32N5O4 MW 538.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O4/c1-19-31(36(37)38)20(2)35(34-19)17-23-15-22(9-12-28(23)39-3)29-30-25(13-14-32-29)26-16-24(10-11-27(26)33-30)40-18-21-7-5-4-6-8-21/h4-12,15-16,29,32-33H,13-14,17-18H2,1-3H3/p+1
InChIKey
XTYWUTFKCAARSY-UHFFFAOYSA-O
Synonyms

1(3((35dimethyl4nitropyrazol1yl)methyl)4methoxyphenyl)6phenylmethoxy2349tetrahydro1~(H)pyrido(34b)indol2ium
4539995
6(benzyloxy)1(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)2349tetrahydro1Hbetacarbolin2ium
InChI=1SC31H31N5O4c11931(36(37)38)20(2)35(3419)17231522(91228(23)393)293025(13143229)261624(101127(26)3330)4018217546821h4121516293233H13141718H213H3p+1
ZINC000001794268
ZINC000001794271

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Available files

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