Vitas-M small molecule compound

(1R,2S)-2-[(1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamoyl]cyclohexanecarboxylic acid

Catalog ID
STK573643
SMILES CN(C(=O)[C@H]1CCCC[C@H]1C(=O)O)C1CCS(=O)(=O)C1

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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 C13H21NO5S MW 303.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21NO5S/c1-14(9-6-7-20(18,19)8-9)12(15)10-4-2-3-5-11(10)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10-,11+/m0/s1
InChIKey
YKGNFQSXCHNISB-QXXIUIOUSA-N
Synonyms
1212456-09-1
(1R2S)2((11dioxidotetrahydrothiophen3yl)(methyl)carbamoyl)cyclohexanecarboxylicacid
(1R2S)2((11dioxothiolan3yl)methylcarbamoyl)cyclohexane1carboxylicacid
1212456091
CN(C(=O)(C@H)1CCCC(C@H)1C(=O)O)C1CCS(=O)(=O)C1
CN(C1CCS(=O)(=O)C1)C(=O)C2CCCCC2C(=O)O
InChI=1SC13H21NO5Sc114(96720(1819)89)12(15)10423511(10)13(16)17h911H28H21H3(H1617)t9?1011+m0s1
MFCD18245483
ZINC000005576385
ZINC000005576387

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Available files

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