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Vitas-M small molecule compound

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

Catalog ID
STL003817
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NCc1ccc(cc1)C)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/c1-18-7-9-20(10-8-18)17-28-23(32)19(2)29-24(33)21-11-14-31(15-12-21)25(34)22(13-16-37-6)30-26(35)36-27(3,4)5/h7-10,19,21-22H,11-17H2,1-6H3,(H,28,32)(H,29,33)(H,30,35)/t19-,22-/m0/s1
InChIKey
LHGGZNRIQJLDSO-UGKGYDQZSA-N
Synonyms
956955-98-9
956955989
CC1=CC=C(C=C1)CNC(=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)NCc1ccc(cc1)C)C)NC(=O)OC(C)(C)C
InChI=1SC27H42N4O5Sc1187920(10818)172823(32)19(2)2924(33)21111431(151221)25(34)22(1316376)3026(35)3627(34)5h710192122H1117H216H3(H2832)(H2933)(H3035)t1922m0s1
MFCD04146382
TERTBUTYL((2S)1(4(((2S)1((4METHYLBENZYL)AMINO)1OXOPROPAN2YL)CARBAMOYL)PIPERIDIN1YL)4(METHYLSULFANYL)1OXOBUTAN2YL)CARBAMATE
tertbutyl((S)1(4(((S)1((4methylbenzyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
tertbutylN((2S)1(4(((2S)1((4methylphenyl)methylamino)1oxopropan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000012862050
ZINC12862050

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Available files

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