Vitas-M small molecule compound

tert-butyl (3S)-3-({(2S)-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]propan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK594341
SMILES O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(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 C23H33N3O5 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O5/c1-15(20(27)24-13-18-10-7-11-30-18)25-21(28)19-12-16-8-5-6-9-17(16)14-26(19)22(29)31-23(2,3)4/h5-6,8-9,15,18-19H,7,10-14H2,1-4H3,(H,24,27)(H,25,28)/t15-,18?,19-/m0/s1
InChIKey
IQZOTKDZUFDKAU-GZMMRYBBSA-N
Synonyms
1013983-30-6
(3S)tertbutyl3(((2R)1oxo1(((tetrahydrofuran2yl)methyl)amino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1013983306
CC(C(=O)NCC1CCCO1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC23H33N3O5c115(20(27)241318107113018)2521(28)191216856917(16)1426(19)22(29)3123(23)4h5689151819H71014H214H3(H2427)(H2528)t1518?19m0s1
MFCD06771263
O=C((C@@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NCC1CCCO1
O=C((C@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NCC1CCCO1
tertbutyl(3S)3(((2S)1oxo1((tetrahydrofuran2ylmethyl)amino)propan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)1oxo1(oxolan2ylmethylamino)propan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009446923
ZINC000009446927

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Available files

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