Vitas-M small molecule compound

tert-butyl (3S)-3-{[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK575100
SMILES CCCNC(=O)[C@H](C(C)C)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 C23H35N3O4 MW 417.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35N3O4/c1-7-12-24-21(28)19(15(2)3)25-20(27)18-13-16-10-8-9-11-17(16)14-26(18)22(29)30-23(4,5)6/h8-11,15,18-19H,7,12-14H2,1-6H3,(H,24,28)(H,25,27)/t18-,19-/m0/s1
InChIKey
UFGDSNPYGGWBBI-OALUTQOASA-N
Synonyms
1173681-64-5
(S)tertbutyl3(((S)3methyl1oxo1(propylamino)butan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173681645
CCCNC(=O)(C@H)(C(C)C)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
CCCNC(=O)C(C(C)C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C
InChI=1SC23H35N3O4c17122421(28)19(15(2)3)2520(27)18131610891117(16)1426(18)22(29)3023(45)6h811151819H71214H216H3(H2428)(H2527)t1819m0s1
MFCD07638178
TERTBUTYL(3S)3(((2S)3METHYL1OXO1(PROPYLAMINO)BUTAN2YL)CARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
tertbutyl(3S)3(((2S)3methyl1oxo1(propylamino)butan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000005353831
ZINC05353831
ZINC5353831

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Available files

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