Vitas-M small molecule compound

N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)-1-((2S,3R)-3-methyl-2-(4-methylphenylsulfonamido)pentanoyl)piperidine-4-carboxamide

Catalog ID
STL003955
SMILES CCCNC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@H](C(CC)C)NS(=O)(=O)c1ccc(cc1)C)CC(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 C28H46N4O5S MW 550.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H46N4O5S/c1-7-15-29-27(34)24(18-19(3)4)30-26(33)22-13-16-32(17-14-22)28(35)25(21(6)8-2)31-38(36,37)23-11-9-20(5)10-12-23/h9-12,19,21-22,24-25,31H,7-8,13-18H2,1-6H3,(H,29,34)(H,30,33)/t21?,24-,25-/m0/s1
InChIKey
RDDCJYNXXOZXFG-MHKYCTGGSA-N
Synonyms
956944-21-1
1((2S)3methyl2((4methylphenyl)sulfonylamino)pentanoyl)N((2S)4methyl1oxo1(propylamino)pentan2yl)piperidine4carboxamide
956944211
CCCNC(=O)(C@@H)(NC(=O)C1CCN(CC1)C(=O)(C@H)(C(CC)C)NS(=O)(=O)c1ccc(cc1)C)CC(C)C
CCCNC(=O)C(CC(C)C)NC(=O)C1CCN(CC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=C(C=C2)C
InChI=1SC28H46N4O5Sc17152927(34)24(1819(3)4)3026(33)22131632(171422)28(35)25(21(6)82)3138(3637)2311920(5)101223h912192122242531H781318H216H3(H2934)(H3033)t21?2425m0s1
N((S)4methyl1oxo1(propylamino)pentan2yl)1((2S3R)3methyl2(4methylphenylsulfonamido)pentanoyl)piperidine4carboxamide
ZINC000070687615
ZINC000070687618

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Available files

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