Vitas-M small molecule compound
6-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK472076
SMILES CCOC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc(c1CC)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 C20H27NO5S MW 393.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5S/c1-6-13-12(5)27-18(16(13)20(25)26-7-2)21-17(22)14-8-10(3)11(4)9-15(14)19(23)24/h14-15H,6-9H2,1-5H3,(H,21,22)(H,23,24)InChIKey
ZSIFTCLFACEKRD-UHFFFAOYSA-NSynonyms
6((3(ethoxycarbonyl)4ethyl5methylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3ethoxycarbonyl4ethyl5methylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3(ETHOXYCARBONYL)4ETHYL5METHYL(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2CC(=C(CC2C(=O)O)C)C)C
InChI=1SC20H27NO5Sc161312(5)2718(16(13)20(25)2672)2117(22)14810(3)11(4)915(14)19(23)24h1415H69H215H3(H2122)(H2324)
MFCD06060596
ZINC000017080418
ZINC000017080421
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