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Vitas-M small molecule compound

tert-butyl {(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

Catalog ID
STL005362
SMILES COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)NC(=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 C27H42N4O6 MW 518.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N4O6/c1-17(2)22(30-26(35)37-27(4,5)6)25(34)31-14-12-20(13-15-31)24(33)29-18(3)23(32)28-16-19-8-10-21(36-7)11-9-19/h8-11,17-18,20,22H,12-16H2,1-7H3,(H,28,32)(H,29,33)(H,30,35)/t18-,22-/m0/s1
InChIKey
BWMZOQRIRBIAQH-AVRDEDQJSA-N
Synonyms
957043-44-6
957043446
CC(C)C(C(=O)N1CCC(CC1)C(=O)NC(C)C(=O)NCC2=CC=C(C=C2)OC)NC(=O)OC(C)(C)C
COc1ccc(cc1)CNC(=O)(C@@H)(NC(=O)C1CCN(CC1)C(=O)(C@H)(C(C)C)NC(=O)OC(C)(C)C)C
InChI=1SC27H42N4O6c117(2)22(3026(35)3727(45)6)25(34)31141220(131531)24(33)2918(3)23(32)28161981021(367)11919h81117182022H1216H217H3(H2832)(H2933)(H3035)t1822m0s1
MFCD05672231
TERTBUTYL((2S)1(4(((2S)1((4METHOXYBENZYL)AMINO)1OXOPROPAN2YL)CARBAMOYL)PIPERIDIN1YL)3METHYL1OXOBUTAN2YL)CARBAMATE
tertbutyl((S)1(4(((S)1((4methoxybenzyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)3methyl1oxobutan2yl)carbamate
tertbutylN((2S)1(4(((2S)1((4methoxyphenyl)methylamino)1oxopropan2yl)carbamoyl)piperidin1yl)3methyl1oxobutan2yl)carbamate
ZINC000008918458
ZINC08918458
ZINC8918458

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Available files

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