Vitas-M small molecule compound

N-{[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}-L-leucine

Catalog ID
STK601041
SMILES COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N[C@H](C(=O)O)CC(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 C24H29FN2O5 MW 444.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29FN2O5/c1-14(2)11-19(23(28)29)26-24(30)27-10-9-16-12-20(31-3)21(32-4)13-18(16)22(27)15-5-7-17(25)8-6-15/h5-8,12-14,19,22H,9-11H2,1-4H3,(H,26,30)(H,28,29)/t19-,22?/m0/s1
InChIKey
WVBLLEMUOGFVPR-YDNXMHBPSA-N
Synonyms
1014044-47-3
(2S)2((1(4fluorophenyl)67dimethoxy34dihydro1Hisoquinoline2carbonyl)amino)4methylpentanoicacid
(2S)2(1(4fluorophenyl)67dimethoxy1234tetrahydroisoquinoline2carboxamido)4methylpentanoicacid
1014044473
CC(C)CC(C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=C(C=C3)F)OC)OC
COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N(C@H)(C(=O)O)CC(C)C
InChI=1SC24H29FN2O5c114(2)1119(23(28)29)2624(30)27109161220(313)21(324)1318(16)22(27)155717(25)8615h5812141922H911H214H3(H2630)(H2829)t1922?m0s1
MFCD10488494
N((1(4fluorophenyl)67dimethoxy34dihydroisoquinolin2(1H)yl)carbonyl)Lleucine
ZINC000013608692
ZINC000013608695

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Available files

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