Vitas-M small molecule compound
tert-butyl [(2S)-1-[4-({(2S)-1-[(4-fluorophenyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate
Catalog ID
STL537529
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)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 C27H41FN4O5S MW 552.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41FN4O5S/c1-17(2)22(24(34)29-20-9-7-19(28)8-10-20)31-23(33)18-11-14-32(15-12-18)25(35)21(13-16-38-6)30-26(36)37-27(3,4)5/h7-10,17-18,21-22H,11-16H2,1-6H3,(H,29,34)(H,30,36)(H,31,33)/t21-,22-/m0/s1InChIKey
LMLPKTWLPPEEML-VXKWHMMOSA-NSynonyms
956941-96-1~(tert)butyl~(N)((2~(S))1(4(((2~(S))1(4fluoroanilino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
16399476
956941961
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)F)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC27H41FN4O5Sc117(2)22(24(34)29209719(28)81020)3123(33)18111432(151218)25(35)21(1316386)3026(36)3727(34)5h71017182122H1116H216H3(H2934)(H3036)(H3133)t2122m0s1
tertbutyl((2S)1(4(((2S)1((4fluorophenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((S)1(4(((S)1((4fluorophenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
ZINC000070686468
ZINC70686468
Check stock
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Check stock on Vitas-MAvailable files
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