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Vitas-M small molecule compound

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

Catalog ID
STK568958
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1F)F)C(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 C27H40F2N4O5S MW 570.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40F2N4O5S/c1-16(2)22(24(35)30-20-8-7-18(28)15-19(20)29)32-23(34)17-9-12-33(13-10-17)25(36)21(11-14-39-6)31-26(37)38-27(3,4)5/h7-8,15-17,21-22H,9-14H2,1-6H3,(H,30,35)(H,31,37)(H,32,34)/t21-,22-/m0/s1
InChIKey
WNMHUCCIVHAIFH-VXKWHMMOSA-N
Synonyms

CC(C)C(C(=O)NC1=C(C=C(C=C1)F)F)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(cc1F)F)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC27H40F2N4O5Sc116(2)22(24(35)30208718(28)1519(20)29)3223(34)1791233(131017)25(36)21(1114396)3126(37)3827(34)5h7815172122H914H216H3(H3035)(H3137)(H3234)t2122m0s1
MFCD05734569
tertbutyl((2S)1(4(((2S)1((24difluorophenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((S)1(4(((S)1((24difluorophenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
tertbutylN((2S)1(4(((2S)1(24difluoroanilino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000102555152
ZINC102555152

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Available files

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

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