Vitas-M small molecule compound
N-{[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}-L-valine
Catalog ID
STK716613
SMILES COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N[C@H](C(=O)O)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 C23H27FN2O5 MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27FN2O5/c1-13(2)20(22(27)28)25-23(29)26-10-9-15-11-18(30-3)19(31-4)12-17(15)21(26)14-5-7-16(24)8-6-14/h5-8,11-13,20-21H,9-10H2,1-4H3,(H,25,29)(H,27,28)/t20-,21?/m0/s1InChIKey
UFLCMTAAMKGDNN-BGERDNNASA-NSynonyms
1013754-23-8(2S)2((1(4fluorophenyl)67dimethoxy34dihydro1Hisoquinoline2carbonyl)amino)3methylbutanoicacid
(2S)2(1(4fluorophenyl)67dimethoxy1234tetrahydroisoquinoline2carboxamido)3methylbutanoicacid
1013754238
CC(C)C(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)C(C)C
InChI=1SC23H27FN2O5c113(2)20(22(27)28)2523(29)26109151118(303)19(314)1217(15)21(26)145716(24)8614h5811132021H910H214H3(H2529)(H2728)t2021?m0s1
MFCD10488475
N((1(4fluorophenyl)67dimethoxy34dihydroisoquinolin2(1H)yl)carbonyl)Lvaline
ZINC000009410635
ZINC000009410636
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