Vitas-M small molecule compound
6-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK474768
SMILES COc1cc(OC)c(cc1NC(=O)C1CC=CCC1C(=O)O)Cl
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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 C16H18ClNO5 MW 339.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClNO5/c1-22-13-8-14(23-2)12(7-11(13)17)18-15(19)9-5-3-4-6-10(9)16(20)21/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)(H,20,21)InChIKey
GKAHNKIYDIQFAB-UHFFFAOYSA-NSynonyms
6((5chloro24dimethoxyphenyl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(5CHLORO24DIMETHOXYPHENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
COC1=CC(=C(C=C1NC(=O)C2CC=CCC2C(=O)O)Cl)OC
InChI=1SC16H18ClNO5c12213814(232)12(711(13)17)1815(19)9534610(9)16(20)21h34710H56H212H3(H1819)(H2021)
MFCD06050300
ZINC000006698808
ZINC000006698811
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