Vitas-M small molecule compound

trans-N-[(2S)-1-{[2-(dimethylamino)ethyl]amino}-1-oxopropan-2-yl]-4-({[(4-fluorophenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide

Catalog ID
STK628609
SMILES CN(CCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)F)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 C21H33FN4O4S MW 456.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33FN4O4S/c1-15(20(27)23-12-13-26(2)3)25-21(28)17-6-4-16(5-7-17)14-24-31(29,30)19-10-8-18(22)9-11-19/h8-11,15-17,24H,4-7,12-14H2,1-3H3,(H,23,27)(H,25,28)/t15-,16-,17-/m0/s1
InChIKey
XDFGXKITMJUIPF-ULQDDVLXSA-N
Synonyms

(1r4S)N((S)1((2(dimethylamino)ethyl)amino)1oxopropan2yl)4((4fluorophenylsulfonamido)methyl)cyclohexanecarboxamide
CN(CCNC(=O)(C@@H)(NC(=O)(C@@H)1CC(C@H)(CC1)CNS(=O)(=O)c1ccc(cc1)F)C)C
MFCD18246504
transN((2S)1((2(dimethylamino)ethyl)amino)1oxopropan2yl)4((((4fluorophenyl)sulfonyl)amino)methyl)cyclohexanecarboxamide
ZINC000245257216

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Available files

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