Vitas-M small molecule compound

tert-butyl (2R,4S)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-[(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)carbamoyl]pyrrolidine-1-carboxylate

Catalog ID
STK686288
SMILES O=C(N[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)Nc1cc(c[nH]c1=O)c1ccncc1)OCC1c2ccccc2c2c1cccc2

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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 C35H35N5O6 MW 621.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O6/c1-35(2,3)46-34(44)40-19-23(17-30(40)32(42)39-29-16-22(18-37-31(29)41)21-12-14-36-15-13-21)38-33(43)45-20-28-26-10-6-4-8-24(26)25-9-5-7-11-27(25)28/h4-16,18,23,28,30H,17,19-20H2,1-3H3,(H,37,41)(H,38,43)(H,39,42)/t23-,30+/m0/s1
InChIKey
SJGRECNHUTXTDJ-YUDQIZAISA-N
Synonyms

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=CC(=CNC2=O)C3=CC=NC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI=1SC35H35N5O6c135(23)4634(44)401923(1730(40)32(42)39291622(183731(29)41)21121436151321)3833(43)452028261064824(26)259571127(25)28h41618232830H171920H213H3(H3741)(H3843)(H3942)t2330+m0s1
MFCD18246937
O=C(N(C@H)1C(C@@H)(N(C1)C(=O)OC(C)(C)C)C(=O)Nc1cc(c(nH)c1=O)c1ccncc1)OCC1c2ccccc2c2c1cccc2
tertbutyl(2R4S)4(((9Hfluoren9ylmethoxy)carbonyl)amino)2((6oxo16dihydro34bipyridin5yl)carbamoyl)pyrrolidine1carboxylate
TERTBUTYL(2R4S)4(9HFLUOREN9YLMETHOXYCARBONYLAMINO)2((2OXO5PYRIDIN4YL1HPYRIDIN3YL)CARBAMOYL)PYRROLIDINE1CARBOXYLATE
ZINC000098007944
ZINC98007944

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Available files

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