Vitas-M small molecule compound

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

Catalog ID
STK587495
SMILES CC([C@@H](C(=O)Nc1ccc(cc1)C(C)C)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 C29H39N3O4 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O4/c1-18(2)20-12-14-23(15-13-20)30-27(34)25(19(3)4)31-26(33)24-16-21-10-8-9-11-22(21)17-32(24)28(35)36-29(5,6)7/h8-15,18-19,24-25H,16-17H2,1-7H3,(H,30,34)(H,31,33)/t24-,25-/m0/s1
InChIKey
JLWLCBKUSXPVRI-DQEYMECFSA-N
Synonyms
1014085-29-0
(S)tertbutyl3(((S)1((4isopropylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014085290
CC((C@@H)(C(=O)Nc1ccc(cc1)C(C)C)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
CC(C)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
InChI=1SC29H39N3O4c118(2)20121423(151320)3027(34)25(19(3)4)3126(33)24162110891122(21)1732(24)28(35)3629(56)7h81518192425H1617H217H3(H3034)(H3133)t2425m0s1
MFCD07640291
tertbutyl(3S)3(((2S)3methyl1oxo1((4(propan2yl)phenyl)amino)butan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2S)3methyl1oxo1(4propan2ylanilino)butan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009129501
ZINC09129501
ZINC9129501

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Available files

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