Vitas-M small molecule compound
(3S)-1-(4-ethoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Catalog ID
STK921095
SMILES CCOc1ccc(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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-3-27-17-9-8-12(10-18(17)26-2)19-20-14(11-16(23-19)21(24)25)13-6-4-5-7-15(13)22-20/h4-10,16,19,22-23H,3,11H2,1-2H3,(H,24,25)/t16-,19?/m0/s1InChIKey
ARQBIPNBQSNAOO-UCFFOFKASA-NSynonyms
(3S)1(4ethoxy3methoxyphenyl)2349tetrahydro1Hbetacarboline3carboxylicacid
(3S)1(4ethoxy3methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
1(4ethoxy3methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
CCOC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)OC
CCOc1ccc(cc1OC)C1N(C@@H)(Cc2c1(nH)c1c2cccc1)C(=O)O
CCOc1ccc(cc1OC)C1NC(Cc2c1(nH)c1c2cccc1)C(=O)O
InChI=1SC21H22N2O4c1327179812(1018(17)262)192014(1116(2319)21(24)25)13645715(13)2220h41016192223H311H212H3(H2425)t1619?m0s1
ZINC000004029935
ZINC000004029936
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