Vitas-M small molecule compound
tert-butyl (3S)-3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK594138
SMILES O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCCO1
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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 C20H28N2O4 MW 360.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)22-13-15-8-5-4-7-14(15)11-17(22)18(23)21-12-16-9-6-10-25-16/h4-5,7-8,16-17H,6,9-13H2,1-3H3,(H,21,23)/t16?,17-/m0/s1InChIKey
XZCZWRNSZQVBBO-DJNXLDHESA-NSynonyms
1173687-02-9(3S)tertbutyl3(((tetrahydrofuran2yl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173687029
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCCO3
InChI=1SC20H28N2O4c120(23)2619(24)221315854714(15)1117(22)18(23)21121696102516h45781617H6913H213H3(H2123)t16?17m0s1
MFCD06782473
O=C((C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCCO1
tertbutyl(3S)3((tetrahydrofuran2ylmethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(oxolan2ylmethylcarbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000005323757
ZINC000005323759
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