Vitas-M small molecule compound

(4-butylphenyl)[(3S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl]methanone

Catalog ID
STK044215
SMILES CCCCc1ccc(cc1)C(=O)N1C(CC)[C@@H](C)C(c2c1cccc2)Nc1ccccc1

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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 C29H34N2O MW 426.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O/c1-4-6-12-22-17-19-23(20-18-22)29(32)31-26(5-2)21(3)28(25-15-10-11-16-27(25)31)30-24-13-8-7-9-14-24/h7-11,13-21,26,28,30H,4-6,12H2,1-3H3/t21-,26?,28?/m1/s1
InChIKey
LSVVQGOVNUXOAF-UDDGKYCSSA-N
Synonyms

((3S)4anilino2ethyl3methyl34dihydro2Hquinolin1yl)(4butylphenyl)methanone
(4BUTYLPHENYL)((3S)2ETHYL3METHYL4(PHENYLAMINO)34DIHYDROQUINOLIN1(2H)YL)METHANONE
(4butylphenyl)(2ethyl3methyl4(phenylamino)34dihydroquinolin1(2H)yl)methanone
CCCCC1=CC=C(C=C1)C(=O)N2C(C(C(C3=CC=CC=C32)NC4=CC=CC=C4)C)CC
CCCCc1ccc(cc1)C(=O)N1C(CC)(C@@H)(C)C(c2c1cccc2)Nc1ccccc1
CCCCc1ccc(cc1)C(=O)N1C(CC)C(C)C(c2c1cccc2)Nc1ccccc1
InChI=1SC29H34N2Oc1461222171923(201822)29(32)3126(52)21(3)28(251510111627(25)31)3024138791424h7111321262830H4612H213H3t2126?28?m1s1
MFCD13368332
STK044215
ZINC000004794674
ZINC000009246875

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Available files

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