Vitas-M small molecule compound
6-{[3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK472073
SMILES COC(=O)c1cc(sc1NC(=O)C1CC(=C(CC1C(=O)O)C)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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-8-5-11(12(16(20)21)6-9(8)2)14(19)18-15-13(17(22)23-4)7-10(3)24-15/h7,11-12H,5-6H2,1-4H3,(H,18,19)(H,20,21)InChIKey
AOQDSNKPBOJULV-UHFFFAOYSA-NSynonyms
6((3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3methoxycarbonyl5methylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3(METHOXYCARBONYL)5METHYL(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C=C(S2)C)C(=O)OC)C(=O)O)C
InChI=1SC17H21NO5Sc18511(12(16(20)21)69(8)2)14(19)181513(17(22)234)710(3)2415h71112H56H214H3(H1819)(H2021)
MFCD06060766
ZINC000017072896
ZINC000017072899
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