Vitas-M small molecule compound
(1R,6S)-6-{[3-(acetylamino)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK330840
SMILES CC(=O)Nc1cccc(c1)NC(=O)[C@H]1CC=CC[C@H]1C(=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 C16H18N2O4 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4/c1-10(19)17-11-5-4-6-12(9-11)18-15(20)13-7-2-3-8-14(13)16(21)22/h2-6,9,13-14H,7-8H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m0/s1InChIKey
YGQJKQUFUFKGNW-UONOGXRCSA-NSynonyms
(1R6S)6((3(acetylamino)phenyl)carbamoyl)cyclohex3ene1carboxylicacid
(1R6S)6((3acetamidophenyl)carbamoyl)cyclohex3ene1carboxylicacid
CC(=O)NC1=CC=CC(=C1)NC(=O)C2CC=CCC2C(=O)O
CC(=O)Nc1cccc(c1)NC(=O)(C@H)1CC=CC(C@H)1C(=O)O
InChI=1SC16H18N2O4c110(19)171154612(911)1815(20)13723814(13)16(21)22h2691314H78H21H3(H1719)(H1820)(H2122)t1314+m0s1
MFCD09962343
ZINC000013012561
ZINC13012561
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