Vitas-M small molecule compound
2-{[1-(2,5-dimethylphenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK020722
SMILES COC(=O)CC(c1cc(C)ccc1C)NC(=O)C1CCCCC1C(=O)O
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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 C20H27NO5 MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5/c1-12-8-9-13(2)16(10-12)17(11-18(22)26-3)21-19(23)14-6-4-5-7-15(14)20(24)25/h8-10,14-15,17H,4-7,11H2,1-3H3,(H,21,23)(H,24,25)InChIKey
UIZSNGWYNLFTHM-UHFFFAOYSA-NSynonyms
2((1(25DIMETHYLPHENYL)3METHOXY3OXOPROPYL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2((1(25DIMETHYLPHENYL)3METHOXY3OXOPROPYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC1=CC(=C(C=C1)C)C(CC(=O)OC)NC(=O)C2CCCCC2C(=O)O
COC(=O)CC(c1cc(C)ccc1C)NC(=O)C1CCCCC1C(=O)O
InChI=1SC20H27NO5c1128913(2)16(1012)17(1118(22)263)2119(23)14645715(14)20(24)25h810141517H4711H213H3(H2123)(H2425)
MFCD08049833
STK020722
ZINC000004590170
ZINC000239222093
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