Vitas-M small molecule compound
6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK474764
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CC(=C(CC1C(=O)O)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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-10-8-14(15(17(21)22)9-11(10)2)16(20)19-13-6-4-12(5-7-13)18(23)24-3/h4-7,14-15H,8-9H2,1-3H3,(H,19,20)(H,21,22)InChIKey
OEEOUGAJCMQEHT-UHFFFAOYSA-NSynonyms
6((4(methoxycarbonyl)phenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((4METHOXYCARBONYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6(N(4(METHOXYCARBONYL)PHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)O)C
InChI=1SC18H21NO5c110814(15(17(21)22)911(10)2)16(20)19136412(5713)18(23)243h471415H89H213H3(H1920)(H2122)
MFCD06067251
ZINC000006699850
ZINC000006699853
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