Vitas-M small molecule compound

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

Catalog ID
STK593573
SMILES O=C(NCc1ccco1)CNC(=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 C22H27N3O5 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5/c1-22(2,3)30-21(28)25-14-16-8-5-4-7-15(16)11-18(25)20(27)24-13-19(26)23-12-17-9-6-10-29-17/h4-10,18H,11-14H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKey
IFORQJGZWXLHDR-SFHVURJKSA-N
Synonyms
1173680-89-1
(S)tertbutyl3((2((furan2ylmethyl)amino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173680891
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NCC3=CC=CO3
InChI=1SC22H27N3O5c122(23)3021(28)251416854715(16)1118(25)20(27)241319(26)23121796102917h41018H1114H213H3(H2326)(H2427)t18m0s1
MFCD06780672
O=C(NCc1ccco1)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
tertbutyl(3S)3((2((furan2ylmethyl)amino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2(furan2ylmethylamino)2oxoethyl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000005321692
ZINC05321692
ZINC5321692

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Available files

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