Vitas-M small molecule compound
6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK441688
SMILES CCOC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1CCCCC2
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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 C20H25NO5S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5S/c1-2-26-20(25)16-14-10-4-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,22)(H,23,24)InChIKey
OKQSNZTXVSFHIS-UHFFFAOYSA-NSynonyms
6((3(ethoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3ethoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC20H25NO5Sc122620(25)1614104351115(14)2718(16)2117(22)12867913(12)19(23)24h671213H25811H21H3(H2122)(H2324)
MFCD02254250
ZINC000002486397
ZINC000003634129
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