Vitas-M small molecule compound
6-({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426238
SMILES COCCOC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCCC2
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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 C22H29NO6S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO6S/c1-12-10-15(16(21(25)26)11-13(12)2)19(24)23-20-18(22(27)29-9-8-28-3)14-6-4-5-7-17(14)30-20/h15-16H,4-11H2,1-3H3,(H,23,24)(H,25,26)InChIKey
FNAMSUBVPTVJRK-UHFFFAOYSA-NSynonyms
6((3((2methoxyethoxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3(2methoxyethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC)C(=O)O)C
InChI=1SC22H29NO6Sc1121015(16(21(25)26)1113(12)2)19(24)232018(22(27)2998283)14645717(14)3020h1516H411H213H3(H2324)(H2526)
MFCD02608631
ZINC000002792947
ZINC000002792950
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