Vitas-M small molecule compound

N-{(2S)-1-[(4-chlorophenyl)amino]-3-methyl-1-oxobutan-2-yl}-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide

Catalog ID
STK629657
SMILES COc1cc2CN(CCc2cc1OC)C(=O)N[C@H](C(=O)Nc1ccc(cc1)Cl)C(C)C

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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 C23H28ClN3O4 MW 445.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28ClN3O4/c1-14(2)21(22(28)25-18-7-5-17(24)6-8-18)26-23(29)27-10-9-15-11-19(30-3)20(31-4)12-16(15)13-27/h5-8,11-12,14,21H,9-10,13H2,1-4H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKey
RIWKHPOJWZGWSX-NRFANRHFSA-N
Synonyms
956617-13-3
(S)N(1((4chlorophenyl)amino)3methyl1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
956617133
CC(C)C(C(=O)NC1=CC=C(C=C1)Cl)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
COc1cc2CN(CCc2cc1OC)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)Cl)C(C)C
InChI=1SC23H28ClN3O4c114(2)21(22(28)25187517(24)6818)2623(29)27109151119(303)20(314)1216(15)1327h5811121421H91013H214H3(H2528)(H2629)t21m0s1
MFCD08749955
N((2S)1((4chlorophenyl)amino)3methyl1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
N((2S)1(4chloroanilino)3methyl1oxobutan2yl)67dimethoxy34dihydro1Hisoquinoline2carboxamide
ZINC000009418858
ZINC09418858
ZINC9418858

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Available files

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