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Vitas-M small molecule compound

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

Catalog ID
STL004593
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)CC)C)NC(=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 C27H42N4O5S MW 534.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N4O5S/c1-7-19-8-10-21(11-9-19)29-23(32)18(2)28-24(33)20-12-15-31(16-13-20)25(34)22(14-17-37-6)30-26(35)36-27(3,4)5/h8-11,18,20,22H,7,12-17H2,1-6H3,(H,28,33)(H,29,32)(H,30,35)/t18-,22-/m0/s1
InChIKey
RDQSXVUPUCUPCM-AVRDEDQJSA-N
Synonyms
956926-22-0
956926220
CCC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(CCSC)NC(=O)OC(C)(C)C
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)CC)C)NC(=O)OC(C)(C)C
InChI=1SC27H42N4O5Sc171981021(11919)2923(32)18(2)2824(33)20121531(161320)25(34)22(1417376)3026(35)3627(34)5h811182022H71217H216H3(H2833)(H2932)(H3035)t1822m0s1
MFCD05671564
TERTBUTYL((2S)1(4(((2S)1((4ETHYLPHENYL)AMINO)1OXOPROPAN2YL)CARBAMOYL)PIPERIDIN1YL)4(METHYLSULFANYL)1OXOBUTAN2YL)CARBAMATE
tertbutyl((S)1(4(((S)1((4ethylphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
tertbutylN((2S)1(4(((2S)1(4ethylanilino)1oxopropan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000008918269
ZINC08918269
ZINC8918269

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Available files

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