Vitas-M small molecule compound

1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

Catalog ID
STK409848
SMILES COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)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 C30H31FN4O3 MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)
InChIKey
FUHCEERDBRGPQZ-UHFFFAOYSA-N
Synonyms
874374-25-1
1(3((4(2FLUOROPHENYL)PIPERAZIN1YL)METHYL)4METHOXYPHENYL)1H2H3H4H9HPYRIDO(34B)INDOLE3CARBOXYLICACID
1(3((4(2fluorophenyl)piperazin1yl)methyl)4methoxyphenyl)2349tetrahydro1Hbetacarboline3carboxylicacid
1(3((4(2fluorophenyl)piperazin1yl)methyl)4methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
874374251
COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F
COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1NC(Cc2c1(nH)c1c2cccc1)C(=O)O
InChI=1SC30H31FN4O3c13827111019(1620(27)1834121435(151334)26953723(26)31)282922(1725(3328)30(36)37)21624824(21)3229h2111625283233H12151718H21H3(H3637)
MFCD02057367
ZINC000057316924
ZINC000057316928

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Available files

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