Vitas-M small molecule compound

methyl (3S)-2-acetyl-1-[4-(propan-2-yl)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

Catalog ID
STL457988
SMILES COC(=O)[C@@H]1Cc2c(C(N1C(=O)C)c1ccc(cc1)C(C)C)[nH]c1c2cccc1

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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 C24H26N2O3 MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O3/c1-14(2)16-9-11-17(12-10-16)23-22-19(18-7-5-6-8-20(18)25-22)13-21(24(28)29-4)26(23)15(3)27/h5-12,14,21,23,25H,13H2,1-4H3/t21-,23?/m0/s1
InChIKey
RBUVPDKGQPTHGM-BBQAJUCSSA-N
Synonyms
1212434-52-0
(3S)methyl2acetyl1(4isopropylphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylate
1212434520
CC(C)C1=CC=C(C=C1)C2C3=C(CC(N2C(=O)C)C(=O)OC)C4=CC=CC=C4N3
COC(=O)(C@@H)1Cc2c(C(N1C(=O)C)c1ccc(cc1)C(C)C)(nH)c1c2cccc1
InChI=1SC24H26N2O3c114(2)1691117(121016)232219(18756820(18)2522)1321(24(28)294)26(23)15(3)27h51214212325H13H214H3t2123?m0s1
methyl(3S)2acetyl1(4(propan2yl)phenyl)2349tetrahydro1Hbetacarboline3carboxylate
methyl(3S)2acetyl1(4propan2ylphenyl)1349tetrahydropyrido(34b)indole3carboxylate
MFCD03850979
ZINC000004045330
ZINC000004045332

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Available files

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