Vitas-M small molecule compound
(3R)-1-[3-methoxy-4-(octyloxy)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Catalog ID
STL527783
SMILES CCCCCCCCOc1ccc(cc1OC)C1N[C@H](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 C27H34N2O4 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O4/c1-3-4-5-6-7-10-15-33-23-14-13-18(16-24(23)32-2)25-26-20(17-22(29-25)27(30)31)19-11-8-9-12-21(19)28-26/h8-9,11-14,16,22,25,28-29H,3-7,10,15,17H2,1-2H3,(H,30,31)/t22-,25?/m1/s1InChIKey
PMFGUSIDXULIJE-UFUCKMQHSA-NSynonyms
(3~(R))1(3methoxy4octoxyphenyl)2349tetrahydro1~(H)pyrido(34b)indole3carboxylicacid
(3R)1(3methoxy4(octyloxy)phenyl)2349tetrahydro1Hbetacarboline3carboxylicacid
(3S)1(3methoxy4(octyloxy)phenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
135639311
CCCCCCCCOc1ccc(cc1OC)C1N(C@@H)(Cc2c1(nH)c1c2cccc1)C(=O)O
InChI=1SC27H34N2O4c13456710153323141318(1624(23)322)252620(1722(2925)27(30)31)1911891221(19)2826h8911141622252829H37101517H212H3(H3031)t2225?m1s1
MFCD03661967
ZINC000002152070
ZINC000002152071
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