Vitas-M small molecule compound

6,7-dimethoxy-N-{(2S)-1-[(2-methylphenyl)amino]-1-oxo-3-phenylpropan-2-yl}-3,4-dihydroisoquinoline-2(1H)-carboxamide

Catalog ID
STK620122
SMILES COc1cc2CN(CCc2cc1OC)C(=O)N[C@H](C(=O)Nc1ccccc1C)Cc1ccccc1

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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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-19-9-7-8-12-23(19)29-27(32)24(15-20-10-5-4-6-11-20)30-28(33)31-14-13-21-16-25(34-2)26(35-3)17-22(21)18-31/h4-12,16-17,24H,13-15,18H2,1-3H3,(H,29,32)(H,30,33)/t24-/m0/s1
InChIKey
ROWQETMZRBGINA-DEOSSOPVSA-N
Synonyms
956509-73-2
(S)67dimethoxyN(1oxo3phenyl1(otolylamino)propan2yl)34dihydroisoquinoline2(1H)carboxamide
67dimethoxyN((2S)1((2methylphenyl)amino)1oxo3phenylpropan2yl)34dihydroisoquinoline2(1H)carboxamide
67dimethoxyN((2S)1(2methylanilino)1oxo3phenylpropan2yl)34dihydro1Hisoquinoline2carboxamide
956509732
CC1=CC=CC=C1NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC
COc1cc2CN(CCc2cc1OC)C(=O)N(C@H)(C(=O)Nc1ccccc1C)Cc1ccccc1
InChI=1SC28H31N3O4c1199781223(19)2927(32)24(1520105461120)3028(33)311413211625(342)26(353)1722(21)1831h412161724H131518H213H3(H2932)(H3033)t24m0s1
MFCD08745102
ZINC000009183667
ZINC09183667
ZINC9183667

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Available files

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