Vitas-M small molecule compound
6-({6-ethyl-3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK472057
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)C1CC=CCC1C(=O)O
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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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-4-13-9-10-16-17(11-13)29-20(18(16)22(27)28-12(2)3)23-19(24)14-7-5-6-8-15(14)21(25)26/h5-6,12-15H,4,7-11H2,1-3H3,(H,23,24)(H,25,26)InChIKey
AFCOGGVMRMYEPO-UHFFFAOYSA-NSynonyms
6((6ethyl3((propan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((6ethyl3propan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC22H29NO5Sc14139101617(1113)2920(18(16)22(27)2812(2)3)2319(24)14756815(14)21(25)26h561215H4711H213H3(H2324)(H2526)
MFCD02254240
ZINC000005953978
ZINC000238997329
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