Vitas-M small molecule compound
tert-butyl (3S)-3-({(2S)-1-[(4-methoxyphenyl)amino]-1-oxopropan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK590589
SMILES COc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-16(22(29)27-19-10-12-20(32-5)13-11-19)26-23(30)21-14-17-8-6-7-9-18(17)15-28(21)24(31)33-25(2,3)4/h6-13,16,21H,14-15H2,1-5H3,(H,26,30)(H,27,29)/t16-,21-/m0/s1InChIKey
SSICTDWIDKNEHZ-KKSFZXQISA-NSynonyms
1014000-91-9(S)tertbutyl3(((S)1((4methoxyphenyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014000919
CC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
COc1ccc(cc1)NC(=O)(C@@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
InChI=1SC25H31N3O5c116(22(29)2719101220(325)131119)2623(30)211417867918(17)1528(21)24(31)3325(23)4h6131621H1415H215H3(H2630)(H2729)t1621m0s1
MFCD06771771
tertbutyl(3S)3(((2S)1((4methoxyphenyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)1(4methoxyanilino)1oxopropan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009447708
ZINC09447708
ZINC9447708
Check stock
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Check stock on Vitas-MAvailable files
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