Vitas-M small molecule compound
tert-butyl (3S)-3-{[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK582790
SMILES CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-16(2)23(25(32)28-19-10-11-21-22(13-19)35-15-34-21)29-24(31)20-12-17-8-6-7-9-18(17)14-30(20)26(33)36-27(3,4)5/h6-11,13,16,20,23H,12,14-15H2,1-5H3,(H,28,32)(H,29,31)/t20-,23-/m0/s1InChIKey
HEEGQIAFEJOLKU-REWPJTCUSA-NSynonyms
1014020-82-6(S)tertbutyl3(((S)1(benzo(d)(13)dioxol5ylamino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014020826
CC((C@@H)(C(=O)Nc1ccc2c(c1)OCO2)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C
InChI=1SC27H33N3O6c116(2)23(25(32)281910112122(1319)35153421)2924(31)201217867918(17)1430(20)26(33)3627(34)5h61113162023H121415H215H3(H2832)(H2931)t2023m0s1
MFCD06771807
tertbutyl(3S)3(((2S)1(13benzodioxol5ylamino)3methyl1oxobutan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
tertbutyl(3S)3(((2S)1(13benzodioxol5ylamino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000009447741
ZINC09447741
ZINC9447741
Check stock
See real-time availability and sample size for STK582790 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.