Vitas-M small molecule compound

6-{[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK432903
SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1C)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 C16H19NO5S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5S/c1-8-9(2)23-14(12(8)16(21)22-3)17-13(18)10-6-4-5-7-11(10)15(19)20/h4-5,10-11H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKey
FNDVHCVMFHSSRH-UHFFFAOYSA-N
Synonyms
544419-35-4
544419354
6(((3(METHOXYCARBONYL)45DIMETHYL2THIENYL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6(((3METHOXYCARBONYL45DIMETHYL2THIOPHENYL)AMINO)OXOMETHYL)1CYCLOHEX3ENECARBOXYLICACID
6((3(methoxycarbonyl)45dimethylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3CARBOMETHOXY45DIMETHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6((3METHOXYCARBONYL45DIMETHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(3(METHOXYCARBONYL)45DIMETHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(SC(=C1C(=O)OC)NC(=O)C2CC=CCC2C(=O)O)C
InChI=1SC16H19NO5Sc189(2)2314(12(8)16(21)223)1713(18)10645711(10)15(19)20h451011H67H213H3(H1718)(H1920)
MFCD02254129
ZINC000004904464
ZINC000004904472

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Available files

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