Vitas-M small molecule compound

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

Catalog ID
STK598740
SMILES C[C@@H](C(=O)NCc1ccco1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(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 C23H29N3O5 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5/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/h5-11,15,19H,12-14H2,1-4H3,(H,24,27)(H,25,28)/t15-,19-/m0/s1
InChIKey
CAXMRHXEZIZOER-KXBFYZLASA-N
Synonyms
1013983-81-7
(S)tertbutyl3(((R)1((furan2ylmethyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1013983817
C(C@@H)(C(=O)NCc1ccco1)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
C(C@H)(C(=O)NCc1ccco1)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
CC(C(=O)NCC1=CC=CO1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC23H29N3O5c115(20(27)241318107113018)2521(28)191216856917(16)1426(19)22(29)3123(23)4h5111519H1214H214H3(H2427)(H2528)t1519m0s1
MFCD06778226
tertbutyl(3S)3(((2S)1((furan2ylmethyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)1(furan2ylmethylamino)1oxopropan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000013556489
ZINC13556489

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.