Vitas-M small molecule compound
tert-butyl (3S)-3-{[(2S)-2-(1,3-benzodioxol-5-ylcarbamoyl)pyrrolidin-1-yl]carbonyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK608702
SMILES O=C([C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1ccc2c(c1)OCO2
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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 C27H31N3O6 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O6/c1-27(2,3)36-26(33)30-15-18-8-5-4-7-17(18)13-21(30)25(32)29-12-6-9-20(29)24(31)28-19-10-11-22-23(14-19)35-16-34-22/h4-5,7-8,10-11,14,20-21H,6,9,12-13,15-16H2,1-3H3,(H,28,31)/t20-,21-/m0/s1InChIKey
CKNXLVVCZSNLDC-SFTDATJTSA-NSynonyms
1014042-00-2(S)tertbutyl3((S)2(benzo(d)(13)dioxol5ylcarbamoyl)pyrrolidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1014042002
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC27H31N3O6c127(23)3626(33)301518854717(18)1321(30)25(32)29126920(29)24(31)281910112223(1419)35163422h45781011142021H6912131516H213H3(H2831)t2021m0s1
MFCD06776239
O=C((C@@H)1CCCN1C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1ccc2c(c1)OCO2
tertbutyl(3S)3(((2S)2(13benzodioxol5ylcarbamoyl)pyrrolidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2S)2(13benzodioxol5ylcarbamoyl)pyrrolidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009452877
ZINC09452877
ZINC9452877
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.